Receptor
PDB id Resolution Class Description Source Keywords
5X8S 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE MUTANT HUMAN ROR GAMMA LIGAND BINDI WITH URSOLIC ACID. NOMASCUS LEUCOGENYS INHIBITOR BINARY COMPLEX NUCLEAR RECEPTOR TRANSFERASE-INHCOMPLEX
Ref.: TERNARY COMPLEX OF HUMAN ROR GAMMA LIGAND-BINDING D INVERSE AGONIST AND SMRT PEPTIDE SHOWS A UNIQUE MEC COREPRESSOR RECRUITMENT GENES CELLS V. 22 535 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6Q5 A:9000;
B:9000;
Valid;
Valid;
none;
none;
submit data
456.7 C30 H48 O3 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZOM 2.27 Å NON-ENZYME: SIGNAL_HORMONE RORGAMMA IN COMPLEX WITH INVERSE AGONIST 4J. HOMO SAPIENS RORGAMMA INVERSE AGONIST TRANSCRIPTION
Ref.: DISCOVERY OF NOVEL PYRAZOLE-CONTAINING BENZAMIDES A ROR GAMMA INVERSE AGONISTS. BIOORG.MED.CHEM.LETT. V. 25 2985 2015
Members (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 4YMQ Kd = 1.6 uM ZBD C25 H29 F6 N3 O5 S C[C@H](CCO....
2 4WLB ic50 = 0.18 uM 3QQ C22 H31 F N4 O4 S2 CC(C)CN(Cc....
3 4QM0 - 39K C23 H27 N O4 S3 CC(C)CN(Cc....
4 5NTP ic50 = 0.7 nM 98E C25 H32 Cl N5 O2 Cc1c(cc(cc....
5 5G42 - 4TU C9 H9 Cl N2 O c1cc2c(cc1....
6 5VB7 Kd = 0.19 uM 921 C30 H35 N3 O2 CC(=CCN(c1....
7 4ZJW ic50 = 0.1 uM 4P1 C24 H19 Cl2 F N2 O2 CNC(=O)c1c....
8 5G45 Kd = 500 uM A7W C9 H8 N2 O c1cc2cc(cn....
9 5LWP ic50 = 120 nM 79U C24 H17 Cl F3 N3 O4 CN(C)C(=O)....
10 5NTK ic50 = 9.7 nM 99N C37 H56 N2 O7 S C[C@H](CCC....
11 5M96 - Q6Y C26 H33 N7 O2 Cc1c(cn2cc....
12 5C4S ic50 = 5.4 nM 4Y5 C22 H10 Cl F5 N2 O3 c1cc(c(c(c....
13 5VB6 Kd = 0.43 uM 927 C31 H36 N4 O2 CC(=CCN(c1....
14 5G46 Kd = 2.5 mM 6VD C11 H11 N O CCc1cc(c2c....
15 5VB5 Kd = 0.35 uM 92A C30 H40 Cl N3 O3 CC1CCN(CC1....
16 4ZOM ic50 = 3 nM 4Q3 C27 H29 Cl F N5 O2 CC(C)n1c(c....
17 5X8S - 6Q5 C30 H48 O3 C[C@@H]1CC....
18 4XT9 - 43V C25 H20 Cl2 N2 O3 S2 CCS(=O)(=O....
19 5C4T ic50 = 26.4 nM 4Y6 C23 H17 Cl F4 N2 O3 C[C@@]1(CC....
20 3B0W - DGX C41 H64 O14 C[C@@H]1[C....
21 5UFR Kd = 0.002 uM 88J C27 H24 Cl N5 O Cn1cncc1[C....
22 5C4U ic50 = 4.1 nM 4Y7 C21 H10 Cl F4 N3 O4 c1cc(c(c(c....
23 3L0J - LYS ILE LEU HIS ARG LEU LEU GLN ASP SER n/a n/a
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 1NQ7 Ki = 0.16 uM ARL C23 H32 O2 CC(=C/C(=O....
2 4YMQ Kd = 1.6 uM ZBD C25 H29 F6 N3 O5 S C[C@H](CCO....
3 4WLB ic50 = 0.18 uM 3QQ C22 H31 F N4 O4 S2 CC(C)CN(Cc....
4 4QM0 - 39K C23 H27 N O4 S3 CC(C)CN(Cc....
5 5NTP ic50 = 0.7 nM 98E C25 H32 Cl N5 O2 Cc1c(cc(cc....
6 5G42 - 4TU C9 H9 Cl N2 O c1cc2c(cc1....
7 5VB7 Kd = 0.19 uM 921 C30 H35 N3 O2 CC(=CCN(c1....
8 4ZJW ic50 = 0.1 uM 4P1 C24 H19 Cl2 F N2 O2 CNC(=O)c1c....
9 5G45 Kd = 500 uM A7W C9 H8 N2 O c1cc2cc(cn....
10 5LWP ic50 = 120 nM 79U C24 H17 Cl F3 N3 O4 CN(C)C(=O)....
11 5NTK ic50 = 9.7 nM 99N C37 H56 N2 O7 S C[C@H](CCC....
12 5M96 - Q6Y C26 H33 N7 O2 Cc1c(cn2cc....
13 5C4S ic50 = 5.4 nM 4Y5 C22 H10 Cl F5 N2 O3 c1cc(c(c(c....
14 5VB6 Kd = 0.43 uM 927 C31 H36 N4 O2 CC(=CCN(c1....
15 5G46 Kd = 2.5 mM 6VD C11 H11 N O CCc1cc(c2c....
16 5VB5 Kd = 0.35 uM 92A C30 H40 Cl N3 O3 CC1CCN(CC1....
17 4ZOM ic50 = 3 nM 4Q3 C27 H29 Cl F N5 O2 CC(C)n1c(c....
18 5X8S - 6Q5 C30 H48 O3 C[C@@H]1CC....
19 4XT9 - 43V C25 H20 Cl2 N2 O3 S2 CCS(=O)(=O....
20 5C4T ic50 = 26.4 nM 4Y6 C23 H17 Cl F4 N2 O3 C[C@@]1(CC....
21 3B0W - DGX C41 H64 O14 C[C@@H]1[C....
22 5UFR Kd = 0.002 uM 88J C27 H24 Cl N5 O Cn1cncc1[C....
23 5C4U ic50 = 4.1 nM 4Y7 C21 H10 Cl F4 N3 O4 c1cc(c(c(c....
24 3L0J - LYS ILE LEU HIS ARG LEU LEU GLN ASP SER n/a n/a
25 4YPQ ic50 = 7 nM 4F1 C22 H12 Cl F3 N2 O3 c1ccc2c(c1....
26 5C4O ic50 = 7 nM 4F1 C22 H12 Cl F3 N2 O3 c1ccc2c(c1....
27 5NTQ ic50 = 33.8 nM 444 C17 H12 F9 N O3 S c1ccc(cc1)....
28 5IXK ic50 = 4.7 nM 6EW C23 H27 F3 N2 O4 S CCN1c2ccc(....
50% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1NQ7 Ki = 0.16 uM ARL C23 H32 O2 CC(=C/C(=O....
2 4YMQ Kd = 1.6 uM ZBD C25 H29 F6 N3 O5 S C[C@H](CCO....
3 4WLB ic50 = 0.18 uM 3QQ C22 H31 F N4 O4 S2 CC(C)CN(Cc....
4 4QM0 - 39K C23 H27 N O4 S3 CC(C)CN(Cc....
5 5NTP ic50 = 0.7 nM 98E C25 H32 Cl N5 O2 Cc1c(cc(cc....
6 5G42 - 4TU C9 H9 Cl N2 O c1cc2c(cc1....
7 5VB7 Kd = 0.19 uM 921 C30 H35 N3 O2 CC(=CCN(c1....
8 4ZJW ic50 = 0.1 uM 4P1 C24 H19 Cl2 F N2 O2 CNC(=O)c1c....
9 5G45 Kd = 500 uM A7W C9 H8 N2 O c1cc2cc(cn....
10 5LWP ic50 = 120 nM 79U C24 H17 Cl F3 N3 O4 CN(C)C(=O)....
11 5NTK ic50 = 9.7 nM 99N C37 H56 N2 O7 S C[C@H](CCC....
12 5M96 - Q6Y C26 H33 N7 O2 Cc1c(cn2cc....
13 5C4S ic50 = 5.4 nM 4Y5 C22 H10 Cl F5 N2 O3 c1cc(c(c(c....
14 5VB6 Kd = 0.43 uM 927 C31 H36 N4 O2 CC(=CCN(c1....
15 5G46 Kd = 2.5 mM 6VD C11 H11 N O CCc1cc(c2c....
16 5VB5 Kd = 0.35 uM 92A C30 H40 Cl N3 O3 CC1CCN(CC1....
17 4ZOM ic50 = 3 nM 4Q3 C27 H29 Cl F N5 O2 CC(C)n1c(c....
18 5X8S - 6Q5 C30 H48 O3 C[C@@H]1CC....
19 4XT9 - 43V C25 H20 Cl2 N2 O3 S2 CCS(=O)(=O....
20 5C4T ic50 = 26.4 nM 4Y6 C23 H17 Cl F4 N2 O3 C[C@@]1(CC....
21 3B0W - DGX C41 H64 O14 C[C@@H]1[C....
22 5UFR Kd = 0.002 uM 88J C27 H24 Cl N5 O Cn1cncc1[C....
23 5C4U ic50 = 4.1 nM 4Y7 C21 H10 Cl F4 N3 O4 c1cc(c(c(c....
24 3L0J - LYS ILE LEU HIS ARG LEU LEU GLN ASP SER n/a n/a
25 1S0X - C3S C27 H46 O4 S CC(C)CCC[C....
26 1N83 - CLR C27 H46 O CC(C)CCC[C....
27 4YPQ ic50 = 7 nM 4F1 C22 H12 Cl F3 N2 O3 c1ccc2c(c1....
28 5C4O ic50 = 7 nM 4F1 C22 H12 Cl F3 N2 O3 c1ccc2c(c1....
29 5NTQ ic50 = 33.8 nM 444 C17 H12 F9 N O3 S c1ccc(cc1)....
30 5IXK ic50 = 4.7 nM 6EW C23 H27 F3 N2 O4 S CCN1c2ccc(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6Q5; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 6Q5 1 1
2 0AS 0.606383 0.804348
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZOM; Ligand: 4Q3; Similar sites found: 66
This union binding pocket(no: 1) in the query (biounit: 4zom.bio4) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LSJ PLM COA 0.01371 0.40646 None
2 2VWA PTY 0.02535 0.40601 None
3 5JNN 6LM 0.009072 0.40903 1.57895
4 4DW4 U5P 0.01704 0.40529 1.79641
5 4IGH FMN 0.02899 0.41886 2.22222
6 4IGH ORO 0.02899 0.41886 2.22222
7 4IGH 1EA 0.02899 0.41886 2.22222
8 1GVE CIT 0.01513 0.41141 2.22222
9 1OW4 2AN 0.006693 0.41198 2.32558
10 3Q8G PEE 0.02154 0.41898 2.5
11 1OLM VTQ 0.0008095 0.40174 2.66667
12 4V3I ASP LEU THR ARG PRO 0.02566 0.40025 2.66667
13 5GQX GLC GLC GLC 0.008783 0.40937 3.11111
14 1DMY AZM 0.01461 0.40422 3.11111
15 4JMO JAF 0.002171 0.4448 3.5
16 5AZC PGT 0.01151 0.44643 3.55556
17 3KO0 TFP 0.02423 0.41222 3.9604
18 1VRP IOM 0.0167 0.41319 4
19 2GBB CIT 0.01444 0.40893 4.48718
20 4XCP PLM 0.004244 0.43655 4.70588
21 2XMY CDK 0.01788 0.42847 4.88889
22 5E70 RCD 0.009127 0.41983 4.88889
23 4F5Z BEZ 0.01598 0.4067 4.88889
24 1J78 VDY 0.01542 0.40306 4.88889
25 5V4R MGT 0.02743 0.40718 4.93827
26 2HJ9 AI2 0.004592 0.43786 5.42986
27 3TDC 0EU 0.004018 0.44353 5.77778
28 5HCN DAO 0.006797 0.42543 5.77778
29 4X8D AVI 0.01293 0.41223 5.77778
30 1NP7 FAD 0.01703 0.40331 5.77778
31 3G08 FEE 0.04281 0.4038 6.06061
32 2W9S TOP 0.01597 0.4089 6.21118
33 3TL1 JRO 0.006389 0.42678 7.54717
34 5HCV 60R 0.0006679 0.42732 8
35 1XVB 3BR 0.01346 0.40176 8
36 1YMT DR9 0.01067 0.41157 9.33333
37 5OCA 9QZ 0.02393 0.40334 9.52381
38 3E8T UQ8 0.0255 0.41596 10
39 3KP6 SAL 0.009378 0.4154 11.9205
40 3UU7 2OH 0.01787 0.40424 12
41 5E58 CPZ 0.02317 0.40012 12
42 1U3R 338 0.0002909 0.45699 19.1111
43 4M8E 29V 0.0001712 0.43698 24
44 4POJ 2VP 0.0001982 0.42822 24
45 1YYE 196 0.001908 0.43266 24.4444
46 3UUD EST 0.001441 0.43819 24.8889
47 2QZO KN1 0.001018 0.42751 24.8889
48 2BJ4 OHT 0.001126 0.41973 24.8889
49 3UUA 0CZ 0.006209 0.41784 24.8889
50 5UNJ RJW 0.0002416 0.468 32
51 4DK7 0KS 0.0005821 0.43547 32
52 1PZL MYR 0.001801 0.42344 32.0675
53 3FS1 MYR 0.001618 0.43143 33.0435
54 5ICK FEZ 0.001099 0.4233 36.8889
55 3KDU NKS 0.00002005 0.56545 40.4444
56 3ET1 ET1 0.00495 0.4047 40.4444
57 3G9E RO7 0.0002167 0.49849 42.2222
58 3H0A 9RA 0.0002751 0.47033 42.2222
59 3T03 3T0 0.0002179 0.46999 42.2222
60 3H0A D30 0.0005594 0.46986 42.2222
61 4HEE 14R 0.0009958 0.42258 42.2222
62 2PRG BRL 0.002107 0.41953 42.2222
63 1FM9 9CR 0.001104 0.41801 42.2222
64 2HFP NSI 0.0008405 0.40625 42.2222
65 3B1M KRC 0.002095 0.40525 42.2222
66 1M13 HYF 0.0008565 0.46731 43.1111
Pocket No.: 2; Query (leader) PDB : 4ZOM; Ligand: 4Q3; Similar sites found: 151
This union binding pocket(no: 2) in the query (biounit: 4zom.bio1) has 81 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CHR 4NC 0.02086 0.4517 None
2 5B4B LP5 0.00192 0.44614 None
3 2ALG DAO 0.04021 0.4041 None
4 2ALG HP6 0.04021 0.4041 None
5 5SVV FMN 0.04538 0.40397 None
6 4DOO DAO 0.006737 0.45156 0.97561
7 2CNT COA 0.02846 0.41403 1.25
8 1Q1Y BB2 0.04756 0.41386 1.57068
9 4NB5 2JT 0.02306 0.42136 1.75439
10 4RC8 STE 0.02677 0.41019 1.8018
11 3KYQ DPV 0.03458 0.43565 2.01005
12 3E2M E2M 0.02218 0.4047 2.16216
13 3R4S SLB 0.02558 0.43287 2.22222
14 1YC4 43P 0.0257 0.43161 2.22222
15 4N82 FMN 0.02153 0.42585 2.24719
16 3WHB DCC 0.0133 0.40003 2.57732
17 1ID0 ANP 0.03334 0.42544 2.63158
18 1TV5 N8E 0.00009987 0.60195 2.66667
19 4RW3 TDA 0.04157 0.46505 2.66667
20 2RH1 CAU 0.02534 0.42222 2.66667
21 4OWK NGA 0.0375 0.42675 2.89855
22 3KXC PLM 0.02447 0.40724 3.09278
23 2BP1 FLC 0.01097 0.46957 3.11111
24 3LA3 2FT 0.02635 0.44516 3.11111
25 4UCC ZKW 0.03537 0.43002 3.11111
26 5FQK 6NT 0.04621 0.42988 3.55556
27 4P3H 25G 0.001706 0.47778 3.62694
28 4DR9 BB2 0.03646 0.42007 3.64583
29 2VDY HCY 0.04738 0.42974 4
30 5AHS COA 0.03229 0.4229 4
31 3LLI FAD 0.01603 0.41098 4
32 3RDE OYP 0.03537 0.40682 4
33 3L1N PLM 0.02723 0.44172 4.12371
34 5N8V KZZ 0.04453 0.42542 4.34783
35 1DQE BOM 0.01923 0.42244 4.37956
36 3G58 988 0.02329 0.4376 4.44444
37 2YOO K2B 0.01909 0.42549 4.44444
38 5K9B FMN 0.02239 0.42201 4.44444
39 2WH8 II2 0.04693 0.42059 4.44444
40 3ZCB ATP 0.03596 0.42039 4.54545
41 4LWU 20U 0.01074 0.44832 4.70588
42 1J78 OLA 0.0031 0.51244 4.88889
43 5V49 MET 0.04414 0.42564 4.88889
44 4MIX UD1 0.03865 0.41871 4.88889
45 3AHQ FAD 0.02798 0.40927 4.88889
46 5K7U SAM 0.04552 0.40644 4.88889
47 4HBM 0Y7 0.03627 0.41712 5
48 4WQ2 3SU 0.02841 0.41967 5.20231
49 5DCH 1YO 0.03233 0.43991 5.20833
50 3AQT RCO 0.02045 0.45267 5.30612
51 1RL4 BL5 0.01316 0.4279 5.31915
52 1XMY ROL 0.02181 0.44313 5.33333
53 1XM4 PIL 0.01861 0.43923 5.33333
54 5K0S 0OU 0.03066 0.41797 5.33333
55 1XMU ROF 0.0465 0.41439 5.33333
56 2X24 X24 0.04838 0.4051 5.33333
57 4WT2 3UD 0.01905 0.40546 5.71429
58 1XZ3 ICF 0.01892 0.45254 5.74713
59 5K53 STE 0.01521 0.42745 5.77778
60 3QCP FAD 0.02094 0.40805 5.77778
61 1W96 S1A 0.04828 0.40779 5.77778
62 3W68 VIV 0.03834 0.40761 5.77778
63 5NE5 KIF 0.04938 0.40729 5.77778
64 2GMH UQ5 0.04255 0.40055 5.77778
65 4V2O CLQ 0.02685 0.43799 6.09756
66 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.002282 0.5108 6.22222
67 2WPX ACO 0.01436 0.43168 6.22222
68 3B99 U51 0.04915 0.41618 6.22222
69 4OAS 2SW 0.005827 0.46236 6.25
70 3CYI ATP 0.03416 0.43733 6.36364
71 5AMH EF2 0.04499 0.42895 6.4
72 3OGN 3OG 0.04424 0.40976 6.45161
73 3SQP 3J8 0.03718 0.42933 6.66667
74 3ETG GWD 0.04555 0.41191 6.66667
75 3IX9 MTX 0.02844 0.41965 6.84211
76 1YP0 PEF 0.002638 0.45783 7.11111
77 4QJR PIZ 0.003028 0.44586 7.11111
78 1ZDT PEF 0.005579 0.4313 7.11111
79 5UGW GSH 0.02441 0.43989 7.42857
80 1D1G MTX 0.04989 0.41582 7.7381
81 5X4Q 7Z6 0.03082 0.4273 7.80142
82 5M8T 0TR 0.03405 0.43605 8
83 1GEG GLC 0.009543 0.41466 8
84 4UHL VFV 0.04533 0.40654 8
85 4I67 G G G RPC 0.03307 0.42912 8.04598
86 5CX8 RP3 0.02345 0.45056 8.44444
87 3SHZ 5CO 0.01747 0.44453 8.44444
88 3SE5 ANP 0.02677 0.42405 8.44444
89 5MWE TCE 0.0348 0.43549 8.57143
90 1RLJ FMN 0.01516 0.43363 8.63309
91 3JUQ AKD 0.02805 0.40682 8.64865
92 2WC1 FMN 0.02312 0.42131 8.79121
93 2HHP FLC 0.002175 0.49237 8.88889
94 4NOS H4B 0.02198 0.45782 8.88889
95 4IBF 1D5 0.03795 0.41913 9.30233
96 5N1X 8HH 0.0004165 0.46895 9.32203
97 5K52 OCD 0.03343 0.40802 9.33333
98 4YSX E23 0.03688 0.43402 9.57447
99 3GWN FAD 0.04279 0.40524 9.64912
100 3W54 RNB 0.01522 0.43355 9.77778
101 4XCL AGS 0.04437 0.40445 9.77778
102 3WFD AXO 0.01493 0.40616 9.85915
103 4WVO 3UZ 0.008213 0.42387 9.94475
104 1UHK CZN 0.01999 0.40671 9.94764
105 5F2T PLM 0.03149 0.42035 10.2222
106 1LQY BB2 0.04713 0.40834 10.8696
107 2PZE ATP 0.02181 0.45171 11.1111
108 3F5A SIA GAL NAG 0.02814 0.42848 11.1111
109 3UP3 XCA 0.01128 0.42532 11.5556
110 3B6C SDN 0.003376 0.49417 12
111 3QKD HI0 0.03688 0.40353 12.1547
112 2QE4 JJ3 0.0000002023 0.53536 12.4444
113 5AAV GW5 0.001875 0.40007 12.4444
114 1TMX HGX 0.02216 0.41669 12.8889
115 1FK5 OLA 0.02324 0.41312 12.9032
116 5K7H IVC 0.004172 0.45164 13.3333
117 5EFQ ADP 0.04764 0.40809 13.3333
118 3S0E EOL 0.04685 0.41421 13.4454
119 4UA3 COA 0.01183 0.43281 14.433
120 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.03956 0.42476 16.1905
121 1BWO LPC 0.03973 0.40945 16.6667
122 3T6E UQ9 0.006105 0.40956 17.7778
123 1FBY REA 0.00006844 0.52808 24
124 2I0G I0G 0.00002467 0.46911 24.4444
125 2QA8 GEN 0.0004451 0.52124 24.8889
126 1HG4 LPP 0.002874 0.44404 27.1111
127 1G2N EPH 0.004451 0.44408 28.0303
128 3LQV ADE 0.0479 0.42535 28.6957
129 1YUC EPH 0.00008935 0.51851 32
130 1YOK P6L 0.00004228 0.49634 32
131 1ZDU P3A 0.0007762 0.47238 32
132 1DB1 VDX 0.00002449 0.51593 36
133 3BEJ MUF 0.0009852 0.478 36.8889
134 3GZ9 D32 0.0001263 0.46932 36.8889
135 3RUU 37G 0.0009907 0.4614 36.8889
136 3DCT 064 0.00196 0.4574 36.8889
137 4OIV XX9 0.0002702 0.45688 36.8889
138 3OKI OKI 0.001226 0.42995 36.8889
139 3FEI CTM 0.00169 0.46358 40.4444
140 1FCZ 156 0.002106 0.45915 40.4444
141 2LBD REA 0.002134 0.45573 40.4444
142 1K7L 544 0.003472 0.44319 40.4444
143 2P54 735 0.01015 0.42225 40.4444
144 3ET3 ET1 0.0007274 0.49201 42.2222
145 2P4Y C03 0.00003049 0.46605 42.2222
146 1FM9 570 0.002165 0.44127 42.2222
147 1NRL SRL 0.00109 0.48344 43.1111
148 4DM8 REA 0.001108 0.47559 48.8889
149 1XAP TTB 0.002697 0.46423 48.8889
150 1DKF BMS 0.00003581 0.5458 49.7778
151 1DKF OLA 0.0005365 0.51697 49.7778
Pocket No.: 3; Query (leader) PDB : 4ZOM; Ligand: 4Q3; Similar sites found: 36
This union binding pocket(no: 3) in the query (biounit: 4zom.bio3) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.04607 0.4017 None
2 1QY1 PRZ 0.005177 0.41232 1.72414
3 4REI 3MV 0.03875 0.40485 2.64901
4 2DW7 SRT 0.02258 0.40669 2.66667
5 5D9G GLU ASN LEU TYR PHE GLN 0.02905 0.40492 2.66667
6 2QES ADE 0.03735 0.40284 2.66667
7 3FW3 ETS 0.03056 0.40002 2.66667
8 4BVM PLM 0.006203 0.40893 3.00752
9 4BVM VCA 0.006299 0.4056 3.00752
10 4A7W GTP 0.01115 0.4401 3.11111
11 3V1S 0LH 0.003449 0.45911 3.55556
12 5CX6 CDP 0.003575 0.45953 4
13 1U6R IOM 0.02787 0.41723 4
14 5UC9 MYR 0.01422 0.421 4.42478
15 4O4Z N2O 0.02654 0.41037 4.54545
16 3BP1 GUN 0.02784 0.4178 4.88889
17 1J1R ADE 0.03663 0.40428 4.88889
18 4DNJ ANN 0.03873 0.40107 5.33333
19 4MRP GSH 0.01318 0.42647 5.77778
20 3ZH4 FLC 0.01611 0.41718 5.77778
21 4UBS DIF 0.01938 0.41498 5.77778
22 2YFB SIN 0.01934 0.44419 5.81395
23 2IDO TMP 0.03382 0.40466 5.91398
24 2HFK E4H 0.04131 0.40078 6.22222
25 3HY2 ATP 0.0343 0.40116 6.36364
26 4G8R 96P 0.0207 0.42 6.66667
27 4H0I MMA 0.01772 0.41276 7.11111
28 3B12 FAH 0.04376 0.40629 7.55556
29 3WBG 2AN 0.007474 0.41883 8
30 1YRX FMN 0.01487 0.4048 8.26446
31 4WGF HX2 0.01883 0.41093 8.78049
32 5XNA SHV 0.003673 0.45509 10.8696
33 3V78 ET 0.01906 0.40663 13.9423
34 4ONT SIA GAL BGC 0.01171 0.42734 14.7287
35 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 0.008814 0.4054 16.4557
36 1ECM TSA 0.01479 0.42012 25.6881
Pocket No.: 4; Query (leader) PDB : 4ZOM; Ligand: 4Q3; Similar sites found: 68
This union binding pocket(no: 4) in the query (biounit: 4zom.bio2) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RJD TFP 0.02257 0.42485 None
2 3BY9 SIN 0.04051 0.40835 None
3 3RV5 DXC 0.0347 0.40219 None
4 4IHL 1F5 0.0429 0.40211 1.77778
5 2Y9G LAT 0.02083 0.42305 2
6 2Y9G LBT 0.02083 0.42305 2
7 3R9V DXC 0.01354 0.43949 2.22222
8 1QY8 RDI 0.01341 0.41731 2.22222
9 4XNV BUR 0.04955 0.41123 2.22222
10 3MBI HSX 0.02241 0.42082 2.66667
11 1O6U PLM 0.0275 0.40529 2.66667
12 4DS8 A8S 0.02092 0.41123 3.11111
13 5FPN KYD 0.03886 0.41095 3.11111
14 2C91 TLA 0.03887 0.40827 3.11111
15 1U25 IHS 0.03653 0.40564 3.11111
16 4LA7 A1O 0.008613 0.40503 3.11111
17 3DTU DXC 0.04816 0.40409 3.11111
18 4RKK GLC GLC GLC GLC GLC GLC 0.01849 0.4139 3.55556
19 4KWD JF2 0.007888 0.40664 3.55556
20 1G27 BB1 0.02301 0.40278 3.57143
21 3NJQ NJQ 0.01609 0.41346 3.62694
22 1KUJ MMA 0.04655 0.41602 3.7594
23 5BVB DOG 0.02247 0.40639 3.78788
24 5J32 IPM 0.007508 0.4528 4
25 4M52 M52 0.02599 0.40025 4
26 1QKQ MAN 0.03533 0.4288 4.22535
27 1ELW GLY PRO THR ILE GLU GLU VAL ASP 0.008046 0.4358 4.23729
28 5B25 4QJ 0.01565 0.41404 4.44444
29 4GBD MCF 0.008479 0.41378 4.44444
30 5G61 FNY 0.01346 0.41072 4.44444
31 4OIC A8S 0.02069 0.40814 4.44444
32 1M48 FRG 0.04832 0.40663 4.51128
33 2V0U FMN 0.01654 0.40653 4.79452
34 3HP9 CF1 0.006592 0.45509 4.88889
35 2XN5 FUN 0.007684 0.44105 4.88889
36 2EG5 XTS 0.02094 0.41471 4.88889
37 3ER9 3AT 0.02632 0.40304 4.88889
38 4UY1 TJM 0.01828 0.41772 5.34351
39 3VV5 SLZ 0.04714 0.40347 5.77778
40 4Y24 TD2 0.04396 0.40155 5.84416
41 2OKL BB2 0.01632 0.40991 5.94595
42 5A7C 5D4 0.04913 0.40799 6.19469
43 4URN NOV 0.02956 0.42122 6.22222
44 5HWK BEZ 0.02368 0.42193 6.66667
45 3SDV 911 0.02662 0.40601 6.66667
46 4UYG 73B 0.04102 0.41057 7.00637
47 4BQS K2Q 0.04625 0.40392 7.38636
48 4OKD GLC GLC GLC 0.0312 0.42008 7.55556
49 1CZA ADP 0.01837 0.43282 8.44444
50 2FCR FMN 0.02038 0.40846 8.67052
51 1PCA VAL 0.03799 0.41239 8.88889
52 3P9T TCL 0.0329 0.40817 9.13242
53 2QJY UQ2 0.03015 0.41846 9.33333
54 3EF0 ALF 0.02749 0.42186 9.77778
55 2HJ3 FAD 0.01125 0.40829 10.4
56 4K55 H6P 0.02653 0.40932 10.4839
57 3RLF MAL 0.03122 0.41311 10.6667
58 3GXO MQA 0.0411 0.40668 10.6667
59 1P4A PCP 0.0255 0.40064 11.1111
60 4ELG 52J 0.009973 0.40233 11.4458
61 3RZ3 U94 0.01573 0.41738 11.4754
62 1T0S BML 0.0213 0.42182 11.6279
63 1EYQ NAR 0.03265 0.41207 12.1622
64 5HZ9 5M8 0.02393 0.40197 13.3333
65 1JNQ EGT 0.009425 0.42125 14.6667
66 2CB8 MYA 0.004202 0.46885 17.2414
67 2PSJ CEI 0.03307 0.41574 18.2222
68 3PMA SCR 0.02007 0.40456 31.0345
Feedback