Supplementary Information for Protein
RNA docking benchmark Version 2
Each folder
contains the protein-RNA complex, the unbound structure of protein and/or RNA
(wherever available) along with the transformed coordinates of unbound protein
and/or RNA subunits superposed with the bound subunits. The subunits have been
filtered and only chains of interest are retained in the PDB files.
Click
here to download the protein-RNA docking benchmark dataset. (Description of
the dataset can be found here.)
Bounda |
Unbound (PDB id)a |
Bb |
rmsd |
fnat |
GDT_TS |
LGA_S |
Category |
|||||||
PDB id |
Protein |
RNA |
Protein |
RNA |
c-rmsdc |
p-rmsdd |
i-rmsde |
|||||||
Cα |
P |
Cα+P |
||||||||||||
I. Unbound-Unbound cases
(21) |
||||||||||||||
(A) Complexes with tRNA
(10) |
||||||||||||||
1ASY (A:R) |
S. cerevisiae aspartyl-tRNA synthetase
|
tRNA-Asp |
1EOV (A) |
2TRA (A) |
4430 |
1.5 |
4.9 |
1.3 |
3.3 |
2.3 |
34.0 |
85.4 |
92.8 |
R |
1B23 (P:R) |
T. aquaticus EF-TU |
E. coli tRNA-Cys |
1TUI (A) |
1U0B* (A) |
2616 |
10.0 |
7.2 |
13.3 |
13.0 |
13.2 |
19.0 |
50.3 |
47.7 |
X |
1C0A (A:B) |
E. coli
aspartyl-tRNA synthetase |
tRNA-Asp
|
1EQR (A) |
1EFW* (C) |
4504 |
1.6 |
1.8 |
1.6 |
1.8 |
1.7 |
70.8 |
84.0 |
92.0 |
S |
1QTQ (A:B) |
E. coli glutaminyl-tRNA
synthetase |
tRNA-Gln |
1NYL (A) |
3KNH* (Y) |
5202 |
1.6 |
4.8 |
1.8 |
6.4 |
4.0 |
41.3 |
86.7 |
93.0 |
S |
2BTE (A:B) |
T.
thermophilus leucyl-tRNA synthetase |
tRNA-Leu |
1OBC (A) |
2NQP* (F) |
3430 |
1.2 |
4.6 |
1.3 |
4.1 |
2.5 |
46.2 |
77.1 |
68.4 |
R |
2DRB (A:B) |
A. fulgidus CCA-adding enzyme |
tRNAminiCCA |
1UET (A) |
3Q1Q* (C) |
3198 |
1.1 |
3.4 |
1.8 |
4.2 |
2.5 |
22.0 |
86.8 |
87.8 |
S |
2FMT (A:C) |
E. coli methionyl-tRNAfmet transformylase |
tRNAfmet |
1FMT (A) |
3CW6 (A) |
2940 |
1.2 |
2.3 |
0.9 |
2.5 |
1.7 |
44.8 |
91.2 |
96.1 |
R |
2ZZM (A:B) |
M. jannaschii tRNA (guanine(37)-N1)-methyltransferase
Trm5b |
tRNA-Leu |
2YX1 (A) |
1WZ2* (C) |
4523 |
15.1 |
4.6 |
20.0 |
6.4 |
12.9 |
43.6 |
74.5 |
73.9 |
X |
3HL2 (AA'BB':E) |
H. sapiens selenium transferase |
tRNA-Sec |
3BC8 (AA'A''A''') |
3RG5 (A) |
2186 |
0.6 |
5.2 |
1.3 |
6.0 |
4.3 |
39.4 |
98.0 |
98.9 |
R |
3VJR (A:B) |
E. coli peptidyl-tRNA
hydrolase |
tRNA
CCA-acceptor |
2PTH (A) |
1NJM* (5) |
1354 |
0.8 |
3.7 |
0.8 |
3.8 |
2.0 |
14.3 |
95.9 |
97.9 |
R |
(B)
Ribosomal proteins (3) |
||||||||||||||
1DFU (P:MN) |
E. coli ribosomal
protein L25 |
5s rRNA |
1B75 (A) |
364D (CB) |
1690 |
3.0 |
5.3 |
3.0 |
4.4 |
3.7 |
14.3 |
73.4 |
70.4 |
X |
1FEU (A:BC) |
T. thermophilus ribosomal protein L5 |
5s rRNA |
2J01 (Z) |
364D* (BC) |
1595 |
2.1 |
3.3 |
2.4 |
2.8 |
2.6 |
55.1 |
82.1 |
80.7 |
S |
1MMS (A:C) |
T. maritima
ribosomal protein L11 |
23S
rRNA fragment |
2K3F (A) |
3I9C* (A:1080-1129) |
2455 |
3.5 |
1.6 |
4.1 |
1.6 |
3.3 |
35.6 |
65.2 |
62.3 |
X |
(C)
Duplex RNA (4) |
||||||||||||||
1OOA (A:C) |
M. musculus NF-kappaB p50 |
aptamer
RNA |
1LE5 (B) |
2JWV* (A) |
1909 |
6.2 |
6.7 |
5.5 |
7.0 |
6.3 |
50.0 |
64.1 |
62.7 |
X |
1R3E (A:C) |
T. maritime pseudouridine synthase TruB |
tRNA
fragment |
1ZE1 (A) |
1EHZ (A:49-65) |
3680 |
2.0 |
4.9 |
3.3 |
4.9 |
3.6 |
50.0 |
82.9 |
76.4 |
X |
2R8S (LH:R) |
M. musculus synthetic FAB |
ribozyme |
2HFF (AB) |
1HR2 (A) |
2510 |
1.6 |
4.3 |
2.9 |
2.1 |
2.5 |
50.9 |
87.1 |
93.8 |
S |
3SNP (A:C) |
O. cuniculus iron regulatory protein 1 |
ferritin
H IRE RNA |
2B3Y (A) |
1AQO* (A) |
2872 |
0.7 |
3.8 |
14.5 |
3.3 |
12.8 |
31.3 |
44.2 |
40.2 |
X |
(D)
Single-stranded RNA (4) |
||||||||||||||
1JBS (A:C) |
A. restrictus restrictocin |
SRD RNA
analogue |
1AQZ (A) |
1Q9A (A) |
1310 |
0.7 |
3.4 |
0.6 |
3.2 |
1.9 |
62.1 |
97.0 |
98.9 |
R |
1WSU (A:E) |
M. thermoacetica elongation factor SelB |
SECIS
RNA |
1LVA (A) |
2RLU (A) |
940 |
0.7 |
4.2 |
0.5 |
1.1 |
0.8 |
73.7 |
98.0 |
98.5 |
R |
1ZBH (AD:E) |
H. sapiens exonuclease ERI1 |
histone
mRNA |
1ZBU (AD) |
1JU7 (A) |
1760 |
0.6 |
3.6 |
0.6 |
3.4 |
2.0 |
72.7 |
49.6 |
49.8 |
R |
2BH2 (A:C) |
E. coli methyltransferase
RumA |
23S
rRNA |
1UWV (A) |
1JZX* (A:1915-1951) |
4491 |
1.4 |
9.8 |
0.7 |
10.5 |
6.0 |
30.4 |
86.0 |
93.5 |
R |
II. Unbound-Bound (95) |
||||||||||||||
(A) Complexes with tRNA
(16) |
||||||||||||||
1F7U (A:B) |
S. cerevisiae arginyl-tRNA synthetase |
tRNA-Arg |
1BS2 (A) |
5767 |
2.0 |
|
2.2 |
|
79.2 |
75.1 |
S |
|||
1H3E (AA':B) |
T.
thermophilus tyrosyl-tRNA
synthetase |
tRNA-Tyr |
1H3F (AB) |
3758 |
7.7 |
|
4.5 |
|
68.3 |
62.6 |
X |
|||
1H4S (AB:T) |
T.
thermophilus prolyl-tRNA synthetase |
tRNA-Pro |
1HC7 (AB) |
2480 |
1.0 |
|
0.9 |
|
88.6 |
94.5 |
R |
|||
1J1U (AA':B) |
M. jannaschii tyrosyl-tRNA synthetase |
tRNA-Tyr |
1U7D (AB) |
2240 |
1.3 |
|
0.8 |
|
73.5 |
71.6 |
R |
|||
1N78 (A:C) |
T.
thermophilus glutamyl-tRNA
synthetase |
tRNA-Glu |
1J09 (A) |
4510 |
1.9 |
|
1.4 |
|
86.4 |
92.4 |
R |
|||
1QF6 (A:B) |
E. coli threonyl-tRNA
synthetase |
tRNA-Thr |
1EVL (A) |
4602 |
0.8 |
|
0.7 |
|
96.6 |
98.5 |
R |
|||
1SER (AB:T) |
T.
thermophilus seryl-tRNA synthetase |
tRNA-Ser |
1SES (AB) |
2290 |
1.7 |
|
2.4 |
|
91.7 |
95.9 |
S |
|||
1U0B (B:A) |
E. coli cysteinyl-tRNA
synthetase |
tRNA-Cys |
1LI5 (B) |
4560 |
0.7 |
|
1.0 |
|
97.7 |
98.9 |
R |
|||
1VFG (B:D) |
A. aeolicus CCA-adding enzyme |
tRNA |
4WBY (A) |
1664 |
1.6 |
|
1.4 |
|
90.8 |
95.1 |
R |
|||
2AZX (AA':C) |
H.
sapiens tryptophanyl-tRNA
synthetase |
tRNA-Trp |
1R6U (AB) |
2130 |
0.8 |
|
0.6 |
|
91.5 |
96.5 |
R |
|||
2FK6 (A:R) |
B. subtilis RNase Z |
tRNA-Thr |
1Y44 (A) |
1530 |
0.7 |
|
0.8 |
|
97.6 |
98.8 |
R |
|||
3ADB (A:C) |
M. jannaschii O-phosphoseryl-tRNA
kinase |
tRNA-Sec |
3A4M (A) |
3099 |
22.4 |
|
27.3 |
|
72.8 |
70.2 |
X |
|||
3AMT (A:B) |
A. fulgidus agmatinylcytidine synthetase TiaS |
tRNA-Ile |
3AU7 (A) |
3821 |
0.8 |
|
0.7 |
|
95.6 |
93.6 |
R |
|||
4YCP (A:B) |
E. coli tRNA-dihydrouridine
synthase C |
tRNA-Trp |
4BFA (A) |
2151 |
0.4 |
|
6.8 |
|
99.8 |
99.9 |
X |
|||
4YVJ (AB:C) |
H. influenzae tRNA methyltransferase D |
tRNA |
3AXZ (AA') |
2313 |
0.7 |
|
1.3 |
|
96.0 |
98.4 |
R |
|||
5HR7 (A:D) |
E. coli RNA
methyltransferase RlmN |
tRNA-Glu |
3RFA (A) |
3450 |
1.4 |
|
1.3 |
|
93.7 |
96.7 |
R |
|||
(B)
Ribosomal proteins (2) |
||||||||||||||
1SDS (C:FF') |
M. jannaschii 50S ribosomal protein L7Ae |
box
H/ACA sRNA |
1XBI (A) |
1200 |
0.3 |
|
0.4 |
|
100.0 |
100.0 |
R |
|||
2HW8 (A:B) |
T. thermophilus ribosomal protein L1 |
mRNA |
1AD2 (A) |
2401 |
6.7 |
|
5.1 |
|
64.6 |
47.4 |
X |
|||
(C)
Duplex RNA (32) |
||||||||||||||
1MSW (D:R) |
Phage
T7 RNA polymerase |
RNA
transcript |
1ARO (P) |
1830 |
3.5 |
|
3.5 |
|
57.1 |
54.1 |
X |
|||
1N35 (A:BC) |
Reovirus polymerase |
dsRNA |
1MUK (A) |
3240 |
0.5 |
|
0.9 |
|
99.3 |
99.7 |
R |
|||
1Q2R (AB:E) |
Z. mobilis guanine transglycosylase |
20-mer
tRNA fragment |
1R5Y (AA') |
3006 |
0.6 |
|
1.6 |
|
98.0 |
99.0 |
S |
|||
1WNE (A:BC) |
Foot-and-mouth
disease virus polymerase |
template-primer RNA decanucleotide |
1U09 (A) |
3080 |
0.7 |
|
0.6 |
|
97.2 |
99.0 |
R |
|||
1YVP (B:EFH) |
X. laevis Ro autoantigen |
Y RNA |
1YVR (A) |
4207 |
1.4 |
|
1.3 |
|
90.6 |
95.2 |
R |
|||
1ZBI (A:CD) |
B. halodurans RNase H |
A form
RNA |
1ZBF (A) |
1675 |
0.6 |
|
0.6 |
|
98.7 |
99.5 |
R |
|||
2AZ0 (AB:CD) |
Flock
house virus B2 |
siRNA |
2B9Z (AB) |
2264 |
1.3 |
|
1.0 |
|
85.5 |
93.3 |
R |
|||
2BGG (A:PQ) |
A. fulgidus PIWI |
siRNA |
1W9H (A) |
2240 |
0.9 |
|
0.8 |
|
96.5 |
98.2 |
R |
|||
2EZ6 (AB:CD) |
A. aeolicus RNase III |
28-mer
RNA |
1JFZ (AB) |
5193 |
1.0 |
|
0.8 |
|
95.5 |
84.9 |
R |
|||
2F8S (AB:CD) |
A. aeolicus argonaute |
siRNA |
1YVU (A) |
990 |
1.9 |
|
1.5 |
|
77.4 |
78.3 |
S |
|||
2GJW (AB:EFH) |
A. fulgidus splicing endonuclease |
bulge-helix-bulge
RNA |
1R0V (AB) |
3243 |
1.0 |
|
1.0 |
|
83.0 |
91.7 |
R |
|||
2GXB (A:EF) |
H. sapiens Z alpha domain of adenosine deaminase |
dsRNA |
1QGP (A) |
768 |
1.1 |
|
0.7 |
|
87.9 |
90.9 |
R |
|||
2QUX (AB:C) |
Pseudomonas
phage PP7 coat protein |
hairpin
RNA |
2QUD (AB) |
1754 |
0.9 |
|
0.5 |
|
96.9 |
98.4 |
R |
|||
2Y8W (A:B) |
T. thermophilus endoribonuclease Cse3 |
hairpin
RNA |
1WJ9 (A) |
3258 |
1.1 |
|
3.1 |
|
95.5 |
97.3 |
X |
|||
2ZKO (AB:CD) |
NS1
protein of influenza A |
A-form
dsRNA |
2Z0A (AB) |
2466 |
0.6 |
|
0.8 |
|
97.7 |
98.8 |
R |
|||
3BSN (A:PT) |
Norwalk
virus polymerase |
synthetic
RNA |
1SH3 (A) |
3111 |
1.3 |
|
1.9 |
|
90.9 |
95.2 |
S |
|||
3DD2 (H:B) |
H. sapiens thrombin |
26-mer
RNA |
1JOU (D) |
1822 |
0.6 |
|
0.5 |
|
96.5 |
98.1 |
R |
|||
3EQT (AB:CD) |
H. sapiens helicase DHX58 |
dsRNA |
2W4R (AA') |
2705 |
1.2 |
|
1.2 |
|
47.9 |
42.5 |
R |
|||
3FTE (A:CD) |
A. aeolicus methyltransferase KsgA |
rRNA |
3FTD (A) |
836 |
1.4 |
|
1.1 |
|
89.7 |
94.9 |
R |
|||
3KS8 (AB:EF) |
R. ebolavirus polymerase cofactor VP35 |
dsRNA |
3KS4 (AB) |
1663 |
0.6 |
|
0.4 |
|
49.8 |
50.1 |
R |
|||
3MOJ (B:A) |
B. subtilis helicase dbpA |
E.coli 23S rRNA fragment |
2G0C (A) |
1758 |
1.0 |
|
1.0 |
|
94.5 |
97.6 |
R |
|||
3O3I (X:A) |
H. sapiens Hiwi1 PAZ domain |
piRNA |
2L5C (A) |
923 |
2.1 |
|
2.7 |
|
79.0 |
84.5 |
S |
|||
3OIJ (AB:C) |
S. cerevisiae methyltransferase |
SSU
rRNA |
3OII (AB) |
2070 |
0.8 |
|
1.7 |
|
97.0 |
98.5 |
S |
|||
3OL6 (A:BCD) |
Poliovirus
polymerase |
synthetic
RNA |
1RA6 (A) |
4174 |
0.8 |
|
1.1 |
|
94.9 |
97.8 |
R |
|||
3RW6 (A:H) |
H. sapiens nuclear RNA export factor 1 |
CTE RNA |
3RW7 (A) |
2699 |
13.5 |
|
19.0 |
|
66.4 |
64.4 |
X |
|||
4ERD (AB:CD) |
T. thermophila p65 C-terminal domain |
stem IV
of telomerase RNA |
4EYT (AB) |
3280 |
1.5 |
|
1.2 |
|
47.0 |
46.5 |
R |
|||
4FVU (A:BC) |
Lassa
virus exonuclease |
dsRNA |
3Q7C (A) |
1240 |
1.0 |
|
0.7 |
|
97.2 |
98.5 |
R |
|||
4IG8 (A:BC) |
H. sapiens oligoadenylate synthetase 1 |
dsRNA |
1PX5 (A) |
2914 |
2.4 |
|
2.8 |
|
79.0 |
74.4 |
S |
|||
4ILL (AB:RC) |
S. solfataricus endoribonuclease Cas6 |
CRISPR
RNA |
4ILR (AA') |
7074 |
0.9 |
|
0.9 |
|
96.3 |
98.1 |
R |
|||
4ZT0 (A:B) |
S.
pyogenes CRISPR-associated
endonuclease Cas9 |
single-guide
RNA |
4CMP (A) |
10845 |
29.6 |
|
22.0 |
|
45.6 |
43.1 |
X |
|||
5ED1 (A:BC) |
H. sapiens ADAR2 |
S. cerevisiae dsRNA |
1ZY7 (A) |
2403 |
1.1 |
|
2.3 |
|
95.4 |
97.5 |
S |
|||
5F5H (A:C) |
M. musculus Roquin-1 |
Ox40
3'-UTR |
4QI0 (A) |
1618 |
0.5 |
|
0.6 |
|
99.2 |
99.6 |
R |
|||
(D)
Single-stranded RNA (45) |
||||||||||||||
1AV6 (A:B) |
Vaccinia virus cap-specific mRNA
methyltransferase |
M7G
capped RNA |
1B42 (A) |
844 |
0.5 |
|
0.4 |
|
99.1 |
99.6 |
R |
|||
1C9S (L:W1-7) |
G. stearothermophilus
TRAP |
ssRNA |
2EXT (A) |
1027 |
0.3 |
|
0.2 |
|
100.0 |
100.0 |
R |
|||
1CVJ (A:M) |
H. sapiens poly(A)-binding protein |
polyA |
4F25 (A) |
2822 |
2.7 |
|
3.9 |
|
93.4 |
93.9 |
X |
|||
1G2E (A:B) |
H. sapiens RRM domain of the HuD
protein |
class
II ARE fragment |
4EGL (A) |
2776 |
0.9 |
|
0.6 |
|
49.8 |
49.8 |
R |
|||
1K8W (A:B) |
E. coli pseudouridine
synthase B |
T
stem-loop RNA |
1R3F (A) |
2973 |
1.9 |
|
1.3 |
|
80.8 |
90.3 |
R |
|||
1KQ2 (ABHIKM:R) |
S. aureus Hfq |
7-mer
RNA |
1KQ1 (ABHIKM) |
3026 |
0.6 |
|
0.5 |
|
81.9 |
91.8 |
R |
|||
1M5O (C:B) |
H. sapiens U1 Snp A |
hairpin
ribozyme |
1OIA (A) |
1770 |
1.2 |
|
0.9 |
|
96.6 |
98.1 |
R |
|||
1M8V (AM:O) |
P. abyssi Sm |
uridine
heptamer |
1H64 (AM) |
1290 |
0.6 |
|
0.4 |
|
62.2 |
61.2 |
R |
|||
1M8W (A:CE) |
H. sapiens pumilio-homology domain |
Nre1-19
RNA |
1M8Z (A) |
2110 |
0.8 |
|
0.7 |
|
90.9 |
96.0 |
R |
|||
1UVI (A:D) |
phi6
RNA polymerase |
6-mer
RNA |
1HHS (A) |
1814 |
0.2 |
|
0.2 |
|
100.0 |
100.0 |
R |
|||
1WPU (A:C) |
B. subtilis HutP antitermination protein |
hut
mRNA |
1WPV (A) |
1360 |
0.2 |
|
0.2 |
|
100.0 |
100.0 |
R |
|||
2A8V (B:E) |
E. coli RHO |
Cytosine
rich RNA |
1A8V (B) |
720 |
1.0 |
|
1.6 |
|
94.7 |
97.7 |
S |
|||
2ASB (A:B) |
M. tuberculosis Nus A antiterminator |
BoxC rRNA |
1K0R (A) |
2320 |
1.1 |
|
0.8 |
|
91.8 |
96.4 |
R |
|||
2GIC (A:R) |
VSV nucleocapsid |
viral
genomic RNA |
2QVJ (A) |
2000 |
1.3 |
|
0.9 |
|
91.9 |
95.7 |
R |
|||
2IX1 (A:B) |
E. coli RNase
II |
polyA |
2IX0 (A) |
4160 |
1.6 |
|
0.9 |
|
86.2 |
93.3 |
R |
|||
2JEA (AB:C) |
S. solfataricus
exosome |
substrate
RNA |
2JE6 (AB) |
1533 |
0.3 |
|
0.3 |
|
99.8 |
99.9 |
R |
|||
2JLU (A:C) |
Dengue
virus serine protease subunit NS3 |
ssRNA |
2JLQ (A) |
1925 |
2.1 |
|
2.8 |
|
74.3 |
78.1 |
S |
|||
2PY9 (B:E) |
H. sapiens poly(rC)-binding
protein 2 |
human
telomeric RNA |
2JZX (A:1-73) |
1060 |
1.4 |
|
1.6 |
|
85.5 |
92.0 |
R |
|||
2Q66 (A:X) |
S.
cerevisiae poly(A) polymerase |
polyA |
2HHP (A) |
1811 |
1.9 |
|
2.1 |
|
85.0 |
91.5 |
S |
|||
2R7R (A:X) |
Rotavirus
polymerase VP1 |
RNA |
2R7Q (A) |
1955 |
0.2 |
|
1.9 |
|
98.7 |
99.3 |
S |
|||
2XGJ (A:C) |
S. cerevisiae Mtr4 |
polyA |
4U4C (A) |
1389 |
4.1 |
|
3.1 |
|
71.5 |
65.5 |
X |
|||
2XNR (A:C) |
S. cerevisiae Nab3-RRM |
UCUU
recognition sequence |
2XNQ (A) |
926 |
1.0 |
|
1.2 |
|
94.3 |
97.4 |
R |
|||
2XZO (A:D) |
H. sapiens Upf1 helicase |
polyU |
2XZP (A) |
2006 |
6.2 |
|
5.0 |
|
57.2 |
54.2 |
X |
|||
3AEV (B:C) |
P. horikoshii Dim2p |
P. horikoshii 16S
rRNA fragment |
2E3U (A) |
2416 |
0.7 |
|
0.5 |
|
97.4 |
99.0 |
R |
|||
3BX2 (A:C) |
S. cerevisiae PUF4 |
3' UTR
binding sequence |
3BWT (A) |
2467 |
0.6 |
|
0.5 |
|
98.5 |
99.3 |
R |
|||
3D2S (A:E) |
H. sapiens MBNL1 ZnF3/4 |
pre-mRNA |
3D2Q (A) |
569 |
0.8 |
|
0.6 |
|
97.0 |
98.7 |
R |
|||
3MDG (AB:C) |
H. sapiens CFI(m)25 |
pre-mRNA |
3BAP (AA') |
1069 |
0.5 |
|
0.9 |
|
96.5 |
98.1 |
R |
|||
3NMR (A:B) |
H. sapiens CUG-binding protein 1 |
UGU-rich
mRNA |
2DHS (A) |
1096 |
2.7 |
|
2.2 |
|
43.0 |
39.7 |
S |
|||
3O8C (A:C) |
HCV NS3
helicase |
polyU |
3O8B (A) |
1909 |
1.0 |
|
1.1 |
|
94.6 |
97.5 |
R |
|||
3PF4 (B:R) |
B. subtilis CspB |
ssRNA |
1CSP (A) |
963 |
0.5 |
|
0.4 |
|
98.5 |
99.4 |
R |
|||
3QJJ (A:Q) |
P. horikoshii RAMP Protein |
CRISPR
repeat RNA |
3UFC (X) |
3191 |
1.0 |
|
1.0 |
|
96.0 |
98.3 |
R |
|||
3RC8 (A:E) |