Receptor
PDB id Resolution Class Description Source Keywords
2AXI 1.4 Å EC: 6.3.2.- HDM2 IN COMPLEX WITH A BETA-HAIRPIN HOMO SAPIENS P53 DRUG DESIGN PROTEIN-PROTEIN INTERACTIONS LIGASE LIGAINHIBITOR COMPLEX
Ref.: STRUCTURE-ACTIVITY STUDIES IN A FAMILY OF BETA-HAIR PROTEIN EPITOPE MIMETIC INHIBITORS OF THE P53-HDM2 PROTEIN-PROTEIN INTERACTION. CHEMBIOCHEM V. 7 515 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MPO A:201;
Invalid;
none;
submit data
209.263 C7 H15 N O4 S C1COC...
PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR B:20;
Valid;
none;
ic50 = 140 nM
1379.92 n/a Clc1c...
SO4 A:301;
A:302;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HBM 1.9 Å EC: 6.3.2.- ORDERING OF THE N TERMINUS OF HUMAN MDM2 BY SMALL MOLECULE I HOMO SAPIENS MDM2 P53 PROTEIN PROTEIN INTERACTION INHIBITOR LIGASE-LIINHIBITOR COMPLEX
Ref.: ORDERING OF THE N-TERMINUS OF HUMAN MDM2 BY SMALL M INHIBITORS. J.AM.CHEM.SOC. V. 134 17059 2012
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
2 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
3 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
4 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
5 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
6 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU n/a n/a
70% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 3JZK ic50 = 1.23 uM YIN C24 H16 Br2 N4 O c1ccc2c(c1....
2 4JV7 ic50 = 1 uM 1MN C24 H21 Br2 N O2 CN1[C@@H](....
3 4JVR ic50 = 9.4 nM 1MT C25 H29 Cl2 F N4 O2 CC(C)(C)C[....
4 5LN2 ic50 = 0.13 nM 6ZT C32 H34 Cl2 N4 O3 Cc1cc(ccc1....
5 4ZFI Kd = 0.5 uM 4NJ C27 H21 Cl3 N2 O2 CN1C(=O)C(....
6 4ZYF Ki = 1.3 nM 4T4 C38 H47 Cl N4 O4 CC(C)Oc1cc....
7 4DIJ ic50 = 0.03 uM BLF C31 H29 Cl2 N5 O2 c1ccc(cc1)....
8 4ZYI ic50 = 0.008 uM 4TH C33 H34 Cl N3 O3 CC[C@@H](C....
9 5HMH ic50 = 0.007 uM 62R C35 H38 F6 N4 O6 S CCC[C@@H]1....
10 4OAS Kd = 0.045 nM 2SW C28 H35 Cl2 N O5 S CC[C@@H](C....
11 4ERF ic50 = 1.1 nM 0R3 C25 H29 Cl2 N O4 CC[C@@H]([....
12 4ZYC ic50 = 0.38 uM 4SS C28 H28 Cl N5 O4 CCOc1cc2c(....
13 4OCC ic50 = 2 nM 2TZ C26 H31 Cl2 N O6 S CC[C@@H](C....
14 3LBL Ki = 36 nM MI6 C29 H35 Cl2 F N4 O3 CC(C)(C)C[....
15 4MDN Ki = 0.6 uM Y30 C30 H29 Cl2 N3 O5 CC(C)(C)NC....
16 5HMI ic50 = 0.015 uM 62T C33 H36 F6 N4 O5 S CCC[C@@H]1....
17 4MDQ Ki = 1.2 uM 28W C24 H28 Cl N5 O5 CC(C)C[C@@....
18 4HG7 ic50 = 90 nM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
19 3W69 ic50 = 8.3 nM LTZ C36 H43 Cl2 N5 O3 S CC[C@@H]1C....
20 4OQ3 ic50 = 0.008 uM 2V8 C24 H18 Cl2 N2 O2 Cc1cccc(c1....
21 4JV9 ic50 = 1.8 uM 1MO C24 H21 Cl2 N O2 CN1[C@@H](....
22 4QOC ic50 = 0.12 nM 35T C29 H34 Cl2 N2 O5 S C[C@@]1(C[....
23 4OGV ic50 = 9 nM 2U7 C26 H31 Cl2 N O6 S CC[C@@H](C....
24 4ZGK Kd = 3.1 uM 4NX C26 H18 Cl3 N O3 c1cc(ccc1C....
25 4OBA ic50 = 0.4 nM 2TW C27 H31 Cl2 N O6 S CC(C)(C)S(....
26 4JVE ic50 = 0.086 uM 1MQ C28 H24 Cl2 F N O4 C/C=C/[C@H....
27 4JWR ic50 = 0.61 uM 1MY C22 H23 Cl2 N O5 CC[C@@H](C....
28 4ERE ic50 = 4.2 nM 0R2 C27 H31 Cl2 N O5 CC[C@@H](C....
29 4QO4 ic50 = 0.005 uM 35S C31 H32 Cl2 N2 O3 CC[C@@H](c....
30 4LWU ic50 = 0.005 uM 20U C30 H29 Cl2 F N4 O3 CC(C)(C)C[....
31 4LWV ic50 = 7 nM 20W C29 H29 Cl2 F N4 O4 S CC(C)(C)C[....
32 4J74 Kd = 26 uM I18 C16 H14 Cl2 N2 CC1=N[C@H]....
33 4IPF ic50 = 18 nM 1F0 C38 H48 Cl2 N4 O4 S CCOc1cc(cc....
34 4J7D Kd = 20 uM I31 C29 H32 Cl2 N2 O CCOc1cc(cc....
35 4J3E ic50 = 0.088 uM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
36 4JSC ic50 = 56 nM 1OY C27 H31 Cl2 F2 N3 O3 CC(C)(C)C[....
37 4JRG ic50 = 196 nM I09 C27 H33 Cl2 N3 O3 CC(C)(C)C[....
38 4J7E Kd = 14 uM I29 C27 H34 Cl2 N4 O3 S CC1=N[C@@]....
39 4LWT ic50 = 3.9 uM 20Q C22 H22 Cl2 N2 O2 CC(=O)N1CC....
40 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
41 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
42 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
43 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
44 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
45 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU n/a n/a
46 2GV2 ic50 = 5 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU n/a n/a
47 5HMK ic50 = 0.04 uM 62Q C35 H38 F6 N4 O5 CCC[C@@H]1....
48 5TRF Ki = 0.88 nM 7HC C29 H34 Cl2 F N3 O3 CC(C)(C)C[....
49 4WT2 Kd = 39 pM 3UD C37 H41 Cl2 F N2 O7 S C[C@@]1(C[....
50 4OGT ic50 = 0.1 nM 2U6 C33 H36 Cl2 N2 O6 S C[C@]1(C(=....
51 1RV1 ic50 = 0.14 uM IMZ C31 H34 Br2 N4 O4 CCOc1cc(cc....
52 4ODF ic50 = 0.1 nM 2U1 C33 H36 Cl2 N2 O6 S C[C@@]1(C(....
53 4ODE ic50 = 0.1 nM 2U0 C33 H37 Cl2 F N2 O5 S2 C[C@@]1(C[....
54 4OGN ic50 = 0.1 nM 2U5 C34 H38 Cl2 N2 O5 S C[C@@]1(C[....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3JZK ic50 = 1.23 uM YIN C24 H16 Br2 N4 O c1ccc2c(c1....
2 4JV7 ic50 = 1 uM 1MN C24 H21 Br2 N O2 CN1[C@@H](....
3 4JVR ic50 = 9.4 nM 1MT C25 H29 Cl2 F N4 O2 CC(C)(C)C[....
4 5LN2 ic50 = 0.13 nM 6ZT C32 H34 Cl2 N4 O3 Cc1cc(ccc1....
5 4ZFI Kd = 0.5 uM 4NJ C27 H21 Cl3 N2 O2 CN1C(=O)C(....
6 4ZYF Ki = 1.3 nM 4T4 C38 H47 Cl N4 O4 CC(C)Oc1cc....
7 4DIJ ic50 = 0.03 uM BLF C31 H29 Cl2 N5 O2 c1ccc(cc1)....
8 4ZYI ic50 = 0.008 uM 4TH C33 H34 Cl N3 O3 CC[C@@H](C....
9 5HMH ic50 = 0.007 uM 62R C35 H38 F6 N4 O6 S CCC[C@@H]1....
10 4OAS Kd = 0.045 nM 2SW C28 H35 Cl2 N O5 S CC[C@@H](C....
11 4ERF ic50 = 1.1 nM 0R3 C25 H29 Cl2 N O4 CC[C@@H]([....
12 4ZYC ic50 = 0.38 uM 4SS C28 H28 Cl N5 O4 CCOc1cc2c(....
13 4OCC ic50 = 2 nM 2TZ C26 H31 Cl2 N O6 S CC[C@@H](C....
14 3LBL Ki = 36 nM MI6 C29 H35 Cl2 F N4 O3 CC(C)(C)C[....
15 4MDN Ki = 0.6 uM Y30 C30 H29 Cl2 N3 O5 CC(C)(C)NC....
16 5HMI ic50 = 0.015 uM 62T C33 H36 F6 N4 O5 S CCC[C@@H]1....
17 4MDQ Ki = 1.2 uM 28W C24 H28 Cl N5 O5 CC(C)C[C@@....
18 4HG7 ic50 = 90 nM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
19 3W69 ic50 = 8.3 nM LTZ C36 H43 Cl2 N5 O3 S CC[C@@H]1C....
20 4OQ3 ic50 = 0.008 uM 2V8 C24 H18 Cl2 N2 O2 Cc1cccc(c1....
21 4JV9 ic50 = 1.8 uM 1MO C24 H21 Cl2 N O2 CN1[C@@H](....
22 4QOC ic50 = 0.12 nM 35T C29 H34 Cl2 N2 O5 S C[C@@]1(C[....
23 4OGV ic50 = 9 nM 2U7 C26 H31 Cl2 N O6 S CC[C@@H](C....
24 4ZGK Kd = 3.1 uM 4NX C26 H18 Cl3 N O3 c1cc(ccc1C....
25 4OBA ic50 = 0.4 nM 2TW C27 H31 Cl2 N O6 S CC(C)(C)S(....
26 4JVE ic50 = 0.086 uM 1MQ C28 H24 Cl2 F N O4 C/C=C/[C@H....
27 4JWR ic50 = 0.61 uM 1MY C22 H23 Cl2 N O5 CC[C@@H](C....
28 4ERE ic50 = 4.2 nM 0R2 C27 H31 Cl2 N O5 CC[C@@H](C....
29 4QO4 ic50 = 0.005 uM 35S C31 H32 Cl2 N2 O3 CC[C@@H](c....
30 4LWU ic50 = 0.005 uM 20U C30 H29 Cl2 F N4 O3 CC(C)(C)C[....
31 4LWV ic50 = 7 nM 20W C29 H29 Cl2 F N4 O4 S CC(C)(C)C[....
32 4J74 Kd = 26 uM I18 C16 H14 Cl2 N2 CC1=N[C@H]....
33 4IPF ic50 = 18 nM 1F0 C38 H48 Cl2 N4 O4 S CCOc1cc(cc....
34 4J7D Kd = 20 uM I31 C29 H32 Cl2 N2 O CCOc1cc(cc....
35 4J3E ic50 = 0.088 uM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
36 4JSC ic50 = 56 nM 1OY C27 H31 Cl2 F2 N3 O3 CC(C)(C)C[....
37 4JRG ic50 = 196 nM I09 C27 H33 Cl2 N3 O3 CC(C)(C)C[....
38 4J7E Kd = 14 uM I29 C27 H34 Cl2 N4 O3 S CC1=N[C@@]....
39 4LWT ic50 = 3.9 uM 20Q C22 H22 Cl2 N2 O2 CC(=O)N1CC....
40 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
41 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
42 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
43 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
44 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
45 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU n/a n/a
46 3U15 ic50 = 41 nM 03M C20 H14 Cl F2 N3 O2 Cc1c(ccc2c....
47 3FE7 Kd = 75 nM ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 n/a n/a
48 3FEA Kd = 36 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2 n/a n/a
49 2GV2 ic50 = 5 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU n/a n/a
50 5HMK ic50 = 0.04 uM 62Q C35 H38 F6 N4 O5 CCC[C@@H]1....
51 5TRF Ki = 0.88 nM 7HC C29 H34 Cl2 F N3 O3 CC(C)(C)C[....
52 4WT2 Kd = 39 pM 3UD C37 H41 Cl2 F N2 O7 S C[C@@]1(C[....
53 4OGT ic50 = 0.1 nM 2U6 C33 H36 Cl2 N2 O6 S C[C@]1(C(=....
54 1RV1 ic50 = 0.14 uM IMZ C31 H34 Br2 N4 O4 CCOc1cc(cc....
55 4ODF ic50 = 0.1 nM 2U1 C33 H36 Cl2 N2 O6 S C[C@@]1(C(....
56 4ODE ic50 = 0.1 nM 2U0 C33 H37 Cl2 F N2 O5 S2 C[C@@]1(C[....
57 4OGN ic50 = 0.1 nM 2U5 C34 H38 Cl2 N2 O5 S C[C@@]1(C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 75
This union binding pocket(no: 1) in the query (biounit: 4hbm.bio3) has 54 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YV5 SVR 0.002358 0.49656 None
2 3B6C SDN 0.003956 0.43725 None
3 3ZLR X0B 0.006042 0.43302 None
4 1TZD ADP 0.006727 0.42811 None
5 3G08 FEE 0.02195 0.41857 None
6 1S8G DAO 0.0018 0.4154 None
7 4LOK 1YD 0.01601 0.41455 None
8 4UCC ZKW 0.01356 0.41353 None
9 5V4R MGT 0.02779 0.40861 None
10 4R38 RBF 0.00909 0.40395 None
11 5XDT ZI7 0.01629 0.4016 None
12 2PX6 DH9 0.008 0.40063 None
13 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.007652 0.43117 2.5
14 2JFZ DGL 0.01747 0.42705 2.5
15 3WCA FPS 0.005825 0.42528 2.5
16 2VVT I24 0.01217 0.41021 2.5
17 4V3I ASP LEU THR ARG PRO 0.02848 0.40117 2.5
18 2XCG XCG 0.02066 0.40057 2.5
19 4XB4 45D 0.01075 0.40404 3.33333
20 1M2Z BOG 0.003718 0.46815 4.16667
21 2QHD DAO 0.006747 0.44116 4.16667
22 5E7V M7E 0.00988 0.41448 4.16667
23 2FAH MLA 0.02042 0.40478 4.16667
24 2OBD PCW 0.01737 0.40415 4.16667
25 2I0G I0G 0.02099 0.41733 5
26 4ZOM 4Q3 0.03627 0.41712 5
27 4CA5 3EF 0.02537 0.41318 5
28 3BY9 SIN 0.02172 0.40067 5
29 4MNS 2AX 0.01065 0.43046 5.83333
30 2JHP GUN 0.006403 0.42835 5.83333
31 4XCP PLM 0.01077 0.41764 5.83333
32 1M13 HYF 0.01207 0.41287 5.83333
33 2A1L PCW 0.0372 0.4001 5.83333
34 5F2T PLM 0.00322 0.41818 6.66667
35 4RC8 STE 0.006759 0.41327 6.66667
36 3FEI CTM 0.007365 0.4132 6.66667
37 2EV1 OLA 0.007034 0.41248 6.66667
38 1HN4 MJI 0.04128 0.41088 6.66667
39 2P54 735 0.01243 0.40571 6.66667
40 4ZBR DIF 0.01996 0.40361 6.66667
41 4ZBR NPS 0.01966 0.40278 6.66667
42 4QWT ACD 0.01493 0.402 6.66667
43 3EWK FAD 0.009989 0.40027 6.66667
44 3L9R L9R 0.02093 0.40375 7.14286
45 3QUZ QUV 0.02169 0.41737 7.5
46 5K52 OCD 0.005214 0.41669 7.5
47 3P3G 3P3 0.01234 0.40861 7.5
48 3P3G UKW 0.01234 0.40861 7.5
49 4LY9 1YY 0.007409 0.43744 8.33333
50 5IR4 ZPE 0.009418 0.4287 8.33333
51 4LY9 S6P 0.03382 0.40381 8.33333
52 2Q2Y ADP 0.01312 0.44185 9.16667
53 2Q2Y MKR 0.01312 0.44185 9.16667
54 3RUU 37G 0.0122 0.40885 9.16667
55 2J8C SPO 0.04603 0.40841 9.16667
56 2J8C U10 0.04603 0.40841 9.16667
57 3BEJ MUF 0.01173 0.40231 9.16667
58 1TV5 N8E 0.003876 0.44632 10
59 5OCA 9QZ 0.009412 0.4436 10
60 5HJQ I3P 0.01582 0.40942 10.8333
61 3G9E RO7 0.019 0.40576 10.8333
62 3FUR Z12 0.03856 0.40095 10.8333
63 5L2J 6UL 0.008905 0.44463 11.2245
64 4ORM ORO 0.01305 0.43612 11.6667
65 4ORM 2V6 0.01305 0.43612 11.6667
66 4ORM FMN 0.01305 0.43612 11.6667
67 4YSX E23 0.0007769 0.40762 11.6667
68 4X6F 3XU 0.01882 0.41112 12.5
69 5BVE 4VG 0.04442 0.40624 12.5
70 3H0A D30 0.002506 0.43955 13.3333
71 5AAV GW5 0.01279 0.43114 18.3333
72 3E85 BSU 0.0162 0.41431 18.3333
73 4HIA FMN 0.02182 0.40395 19.1667
74 4OAR 2S0 0.002883 0.42651 20.8333
75 1SR7 MOF 0.00736 0.42308 20.8333
Pocket No.: 2; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 4hbm.bio11) has 57 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WYJ H78 0.04273 0.40668 None
2 2JFZ 003 0.01926 0.42169 2.5
3 2C78 PUL 0.04714 0.4002 3.33333
4 4JD3 COA 0.01666 0.41327 4.16667
5 4JD3 PLM 0.01812 0.41327 4.16667
6 1NHZ 486 0.003351 0.40168 4.16667
7 5B4B LP5 0.01737 0.40091 4.16667
8 2OS2 OGA 0.026 0.40032 5.83333
9 3G5N PB2 0.03614 0.41212 6.66667
10 3HP9 CF1 0.02382 0.40293 6.66667
11 2NPA MMB 0.002575 0.40111 6.66667
12 1N13 AG2 0.02598 0.4008 7.5
13 5L2J 70E 0.00855 0.44327 11.2245
14 1T0S BML 0.01468 0.40652 12.5
15 4P42 PEE 0.01069 0.40384 15
16 2QE4 JJ3 0.02316 0.41282 18.3333
17 1P0H ACO 0.02341 0.41996 30
Pocket No.: 3; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4hbm.bio11) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 32
This union binding pocket(no: 4) in the query (biounit: 4hbm.bio5) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.001663 0.47249 None
2 1UO5 PIH 0.0005103 0.46822 None
3 3KP6 SAL 0.0216 0.40807 None
4 4QAG F95 0.009305 0.40767 None
5 1QG6 TCL 0.04691 0.40524 None
6 4V2O CLQ 0.006491 0.40294 None
7 5G3N X28 0.01801 0.40291 None
8 3KO0 TFP 0.03037 0.40045 None
9 1YOK P6L 0.03646 0.40389 1.66667
10 2V57 PRL 0.01528 0.40584 3.33333
11 3MJY IJZ 0.01566 0.41964 4.16667
12 3MJY FMN 0.01566 0.41964 4.16667
13 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.006504 0.43721 5
14 3EE4 MYR 0.01914 0.40161 5
15 5KAU RHQ 0.009368 0.41324 5.83333
16 4G8R 96P 0.003654 0.43949 6.66667
17 3KDU NKS 0.04072 0.41088 6.66667
18 4CS4 ANP 0.03417 0.40731 6.66667
19 3B9Z CO2 0.01938 0.4011 6.66667
20 4N02 FNR 0.02108 0.40412 7.5
21 2YLD CMO 0.002603 0.44268 8.33333
22 3O26 NDP 0.02525 0.40669 8.33333
23 2E2R 2OH 0.02531 0.41111 9.16667
24 2HFP NSI 0.004993 0.43359 10.8333
25 4KWD JF2 0.01746 0.4082 10.8333
26 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.03789 0.40589 11
27 3AQT RCO 0.007787 0.4209 11.6667
28 1IID NHM 0.03551 0.40829 12.5
29 1OVD FMN 0.02928 0.40986 13.3333
30 4MA7 P2Z 0.00413 0.42899 14.1667
31 3Q8G PEE 0.04922 0.40999 20
32 2YNC YNC 0.02527 0.41218 26.6667
Pocket No.: 5; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 7
This union binding pocket(no: 5) in the query (biounit: 4hbm.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KFC 61X 0.01168 0.40568 None
2 3QKD HI0 0.01023 0.4014 None
3 2FDW D3G 0.01303 0.41052 5
4 3VRV YSD 0.01928 0.41141 5.83333
5 3A7R LAQ 0.011 0.41268 6.66667
6 1DB1 VDX 0.01679 0.40088 7.5
7 5EW9 5VC 0.02686 0.42832 29.1667
Pocket No.: 6; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 7
This union binding pocket(no: 6) in the query (biounit: 4hbm.bio10) has 57 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LLT DND 0.01221 0.40644 5
2 1DKF BMS 0.00299 0.40197 6.66667
3 2BJ4 OHT 0.006254 0.40081 6.66667
4 3SP6 IL2 0.007696 0.40023 6.66667
5 2QQD AG2 0.01944 0.40789 7.5
6 1TMX HGX 0.003718 0.40398 15
7 2WPF FAD 0.0355 0.41815 25
Pocket No.: 7; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4hbm.bio10) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 8
This union binding pocket(no: 8) in the query (biounit: 4hbm.bio6) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1AE1 NAP 0.02491 0.4104 6.66667
2 2ET1 GLV 0.01562 0.40348 6.66667
3 3MJE NDP 0.02561 0.40516 8.33333
4 1OYF MHN 0.01899 0.40093 8.33333
5 3LKJ LKJ 0.03237 0.40232 17.5
6 4C2X NHW 0.02352 0.41771 25.8333
7 2YNE NHW 0.04372 0.42126 26.6667
8 2YNE YNE 0.04372 0.42126 26.6667
Pocket No.: 9; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 3
This union binding pocket(no: 9) in the query (biounit: 4hbm.bio2) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PZG A3D 0.0272 0.40234 2.5
2 3OGN 3OG 0.006035 0.40607 5.83333
3 5IXJ THR 0.02889 0.402 13.3333
Pocket No.: 10; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 9
This union binding pocket(no: 10) in the query (biounit: 4hbm.bio8) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CSD ACD 0.03968 0.40197 None
2 3D3W NAP 0.01782 0.41789 4.16667
3 1PR9 NAP 0.02273 0.41245 4.16667
4 3TDC 0EU 0.01281 0.42548 5.83333
5 2GDZ NAD 0.02544 0.40652 5.83333
6 4CS4 AXZ 0.04816 0.40463 6.66667
7 4J7U YTZ 0.0289 0.41564 10.8333
8 4J7U NAP 0.0289 0.41564 10.8333
9 1KSK URA 0.00988 0.41134 10.8333
Pocket No.: 11; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 2
This union binding pocket(no: 11) in the query (biounit: 4hbm.bio7) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4FC7 COA 0.03143 0.41371 8.33333
2 4FC7 NAP 0.03143 0.41371 8.33333
Pocket No.: 12; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4hbm.bio9) has 78 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 7
This union binding pocket(no: 13) in the query (biounit: 4hbm.bio9) has 79 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XNV BUR 0.02483 0.43203 4.16667
2 4RW3 SHV 0.04564 0.42693 5.83333
3 1K7L 544 0.007804 0.4082 6.66667
4 3OKI OKI 0.02131 0.40227 9.16667
5 5TWO 7MV 0.01231 0.41333 10.8333
6 5HTX ADP 0.04591 0.4041 10.8333
7 1LNX URI 0.0162 0.44019 12.5
Pocket No.: 14; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 1
This union binding pocket(no: 14) in the query (biounit: 4hbm.bio12) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GWT 066 0.01919 0.40328 5.83333
Pocket No.: 15; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4hbm.bio12) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found: 16
This union binding pocket(no: 16) in the query (biounit: 4hbm.bio4) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4EKQ NPO 0.008105 0.40617 None
2 5AZC PGT 0.04314 0.41915 2.5
3 4OMJ 2TX 0.02606 0.40127 3.33333
4 4GFD 0YB 0.01422 0.40353 4.16667
5 3QCQ 3Q0 0.03946 0.42267 5
6 2P1C GG3 0.01901 0.40441 5
7 5TO8 7FM 0.03433 0.40047 5
8 3CGD NAD 0.02554 0.43145 5.83333
9 3CGD COA 0.02554 0.43145 5.83333
10 3CGD FAD 0.02554 0.43145 5.83333
11 5KOR GDP 0.01034 0.40505 5.83333
12 3T03 3T0 0.007012 0.40699 10.8333
13 2PRG BRL 0.009979 0.40203 10.8333
14 2XMY CDK 0.04874 0.40888 11.6667
15 1FM9 570 0.02244 0.40214 13.3333
16 1FBY REA 0.01628 0.40075 13.3333
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