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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0Y7 A:201;
B:201;
C:201;
D:201;
E:201;
F:201;
G:201;
H:201;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 8.2 nM
450.355 C23 H25 Cl2 N O4 CC[C@...
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 36 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 (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 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 5OC8 - 9QW C26 H24 Cl2 N6 O4 CC(C)n1c2c....
17 6I3S - H28 C23 H18 Cl2 F N3 O2 c1cc(c(c(c....
18 5HMI ic50 = 0.015 uM 62T C33 H36 F6 N4 O5 S CCC[C@@H]1....
19 4MDQ Ki = 1.2 uM 28W C24 H28 Cl N5 O5 CC(C)C[C@@....
20 4HG7 ic50 = 90 nM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
21 3W69 ic50 = 8.3 nM LTZ C36 H43 Cl2 N5 O3 S CC[C@@H]1C....
22 4OQ3 ic50 = 0.008 uM 2V8 C24 H18 Cl2 N2 O2 Cc1cccc(c1....
23 4JV9 ic50 = 1.8 uM 1MO C24 H21 Cl2 N O2 CN1[C@@H](....
24 4QOC ic50 = 0.12 nM 35T C29 H34 Cl2 N2 O5 S C[C@@]1(C[....
25 4OGV ic50 = 9 nM 2U7 C26 H31 Cl2 N O6 S CC[C@@H](C....
26 4ZGK Kd = 3.1 uM 4NX C26 H18 Cl3 N O3 c1cc(ccc1C....
27 4OBA ic50 = 0.4 nM 2TW C27 H31 Cl2 N O6 S CC(C)(C)S(....
28 4JVE ic50 = 0.086 uM 1MQ C28 H24 Cl2 F N O4 C/C=C/[C@H....
29 4JWR ic50 = 0.61 uM 1MY C22 H23 Cl2 N O5 CC[C@@H](C....
30 6GGN ic50 = 0.08 nM EYH C28 H27 Cl2 N5 O3 Cc1ccc(cc1....
31 4ERE ic50 = 4.2 nM 0R2 C27 H31 Cl2 N O5 CC[C@@H](C....
32 4QO4 ic50 = 0.005 uM 35S C31 H32 Cl2 N2 O3 CC[C@@H](c....
33 4LWU ic50 = 0.005 uM 20U C30 H29 Cl2 F N4 O3 CC(C)(C)C[....
34 4LWV ic50 = 7 nM 20W C29 H29 Cl2 F N4 O4 S CC(C)(C)C[....
35 4J74 Kd = 26 uM I18 C16 H14 Cl2 N2 CC1=N[C@H]....
36 4IPF ic50 = 18 nM 1F0 C38 H48 Cl2 N4 O4 S CCOc1cc(cc....
37 4J7D Kd = 20 uM I31 C29 H32 Cl2 N2 O CCOc1cc(cc....
38 4J3E ic50 = 0.088 uM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
39 4JSC ic50 = 56 nM 1OY C27 H31 Cl2 F2 N3 O3 CC(C)(C)C[....
40 4JRG ic50 = 196 nM I09 C27 H33 Cl2 N3 O3 CC(C)(C)C[....
41 4J7E Kd = 14 uM I29 C27 H34 Cl2 N4 O3 S CC1=N[C@@]....
42 4LWT ic50 = 3.9 uM 20Q C22 H22 Cl2 N2 O2 CC(=O)N1CC....
43 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
44 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
45 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
46 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
47 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
48 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU 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[....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 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 5OC8 - 9QW C26 H24 Cl2 N6 O4 CC(C)n1c2c....
17 6I3S - H28 C23 H18 Cl2 F N3 O2 c1cc(c(c(c....
18 5HMI ic50 = 0.015 uM 62T C33 H36 F6 N4 O5 S CCC[C@@H]1....
19 4MDQ Ki = 1.2 uM 28W C24 H28 Cl N5 O5 CC(C)C[C@@....
20 4HG7 ic50 = 90 nM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
21 3W69 ic50 = 8.3 nM LTZ C36 H43 Cl2 N5 O3 S CC[C@@H]1C....
22 4OQ3 ic50 = 0.008 uM 2V8 C24 H18 Cl2 N2 O2 Cc1cccc(c1....
23 4JV9 ic50 = 1.8 uM 1MO C24 H21 Cl2 N O2 CN1[C@@H](....
24 4QOC ic50 = 0.12 nM 35T C29 H34 Cl2 N2 O5 S C[C@@]1(C[....
25 4OGV ic50 = 9 nM 2U7 C26 H31 Cl2 N O6 S CC[C@@H](C....
26 4ZGK Kd = 3.1 uM 4NX C26 H18 Cl3 N O3 c1cc(ccc1C....
27 4OBA ic50 = 0.4 nM 2TW C27 H31 Cl2 N O6 S CC(C)(C)S(....
28 4JVE ic50 = 0.086 uM 1MQ C28 H24 Cl2 F N O4 C/C=C/[C@H....
29 4JWR ic50 = 0.61 uM 1MY C22 H23 Cl2 N O5 CC[C@@H](C....
30 6GGN ic50 = 0.08 nM EYH C28 H27 Cl2 N5 O3 Cc1ccc(cc1....
31 4ERE ic50 = 4.2 nM 0R2 C27 H31 Cl2 N O5 CC[C@@H](C....
32 4QO4 ic50 = 0.005 uM 35S C31 H32 Cl2 N2 O3 CC[C@@H](c....
33 4LWU ic50 = 0.005 uM 20U C30 H29 Cl2 F N4 O3 CC(C)(C)C[....
34 4LWV ic50 = 7 nM 20W C29 H29 Cl2 F N4 O4 S CC(C)(C)C[....
35 4J74 Kd = 26 uM I18 C16 H14 Cl2 N2 CC1=N[C@H]....
36 4IPF ic50 = 18 nM 1F0 C38 H48 Cl2 N4 O4 S CCOc1cc(cc....
37 4J7D Kd = 20 uM I31 C29 H32 Cl2 N2 O CCOc1cc(cc....
38 4J3E ic50 = 0.088 uM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
39 4JSC ic50 = 56 nM 1OY C27 H31 Cl2 F2 N3 O3 CC(C)(C)C[....
40 4JRG ic50 = 196 nM I09 C27 H33 Cl2 N3 O3 CC(C)(C)C[....
41 4J7E Kd = 14 uM I29 C27 H34 Cl2 N4 O3 S CC1=N[C@@]....
42 4LWT ic50 = 3.9 uM 20Q C22 H22 Cl2 N2 O2 CC(=O)N1CC....
43 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
44 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
45 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
46 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
47 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
48 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU n/a n/a
49 3U15 ic50 = 41 nM 03M C20 H14 Cl F2 N3 O2 Cc1c(ccc2c....
50 3FE7 Kd = 75 nM ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 n/a n/a
51 3FEA Kd = 36 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2 n/a n/a
52 2GV2 ic50 = 5 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU n/a n/a
53 5HMK ic50 = 0.04 uM 62Q C35 H38 F6 N4 O5 CCC[C@@H]1....
54 5TRF Ki = 0.88 nM 7HC C29 H34 Cl2 F N3 O3 CC(C)(C)C[....
55 4WT2 Kd = 39 pM 3UD C37 H41 Cl2 F N2 O7 S C[C@@]1(C[....
56 4OGT ic50 = 0.1 nM 2U6 C33 H36 Cl2 N2 O6 S C[C@]1(C(=....
57 1RV1 ic50 = 0.14 uM IMZ C31 H34 Br2 N4 O4 CCOc1cc(cc....
58 4ODF ic50 = 0.1 nM 2U1 C33 H36 Cl2 N2 O6 S C[C@@]1(C(....
59 4ODE ic50 = 0.1 nM 2U0 C33 H37 Cl2 F N2 O5 S2 C[C@@]1(C[....
60 4OGN ic50 = 0.1 nM 2U5 C34 H38 Cl2 N2 O5 S C[C@@]1(C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0Y7; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 0Y7 1 1
2 0R2 0.678161 0.785714
3 1MY 0.549451 0.890909
4 2SW 0.484848 0.652174
5 2TZ 0.46 0.625
6 2U7 0.46 0.625
7 0R3 0.459184 0.839286
8 35S 0.418182 0.704918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 191
This union binding pocket(no: 1) in the query (biounit: 4hbm.bio3) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 4YV5 SVR None
3 1UO5 PIH None
4 1MID LAP None
5 1UO4 PIH None
6 3B6C SDN None
7 3W54 RNB None
8 3ZLR X0B None
9 1NF8 BOG None
10 2AX9 BHM None
11 2BHW NEX None
12 1TZD ADP None
13 5XJ7 87O None
14 2BW7 APC None
15 4V2O CLQ None
16 6DIO CIT None
17 4RJD TFP None
18 3D72 FAD None
19 3KP6 SAL None
20 3G08 FEE None
21 3IS2 FAD None
22 1ZEI CRS None
23 1S8G DAO None
24 4UCC ZKW None
25 3GZ9 D32 None
26 5WZU 7W3 None
27 3KPE TM3 None
28 5V4R MGT None
29 3UW4 MAA CHG PRO 0DQ None
30 4PYA 2X3 None
31 5URY PAM None
32 4R38 RBF None
33 1UUO ORO None
34 1UUO FMN None
35 5XDT ZI7 None
36 2PX6 DH9 None
37 3KO0 TFP None
38 5EEH P9P None
39 3P7N FMN 1.66667
40 5CHR 4NC 1.66667
41 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 2.5
42 2JFZ DGL 2.5
43 2JFZ 003 2.5
44 3WCA FPS 2.5
45 2VVT I24 2.5
46 5AZC PGT 2.5
47 4V3I ASP LEU THR ARG PRO 2.5
48 2XCG XCG 2.5
49 1NU4 MLA 3.09278
50 3KMZ EQO 3.33333
51 4XB4 45D 3.33333
52 5LUN OGA 3.33333
53 5W4W 9WG 3.33333
54 2GWH PCI 4.16667
55 1M2Z BOG 4.16667
56 2QHD DAO 4.16667
57 1NHZ 486 4.16667
58 5E7V M7E 4.16667
59 2FAH MLA 4.16667
60 2OBD PCW 4.16667
61 6F6E PLM 4.16667
62 5UC1 486 4.16667
63 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5
64 5C1M OLC 5
65 4WGF HX2 5
66 6BR8 6OU 5
67 5NTP 98E 5
68 2I0G I0G 5
69 5NM7 GLY 5
70 6BR8 PGV 5
71 4CA5 3EF 5
72 3EE4 MYR 5
73 3BY9 SIN 5
74 3D78 NBB 5.04202
75 4F4S EFO 5.26316
76 2HHP FLC 5.83333
77 4MNS 2AX 5.83333
78 2JHP GUN 5.83333
79 4XCP PLM 5.83333
80 1XZ3 ICF 5.83333
81 1M13 HYF 5.83333
82 5EXW 7DT 5.83333
83 6BR9 PGV 5.83333
84 2A1L PCW 5.83333
85 1DKF BMS 6.66667
86 4G8R 96P 6.66667
87 1K7L 544 6.66667
88 2NPA MMB 6.66667
89 3G5N PB2 6.66667
90 2BJ4 OHT 6.66667
91 3FEI CTM 6.66667
92 2EV1 OLA 6.66667
93 5F2T PLM 6.66667
94 4RC8 STE 6.66667
95 3SP6 IL2 6.66667
96 2P54 735 6.66667
97 3SQP 3J8 6.66667
98 4ZBR DIF 6.66667
99 4ZBR NPS 6.66667
100 4QWT ACD 6.66667
101 3EWK FAD 6.66667
102 3L9R L9R 7.14286
103 1FX8 BOG 7.5
104 3E70 GDP 7.5
105 3QUZ QUV 7.5
106 5K52 OCD 7.5
107 4YDQ ANP 7.5
108 4YDQ HFG 7.5
109 3P3G 3P3 7.5
110 3P3G UKW 7.5
111 3B99 U51 7.5
112 2AMV BIN 7.5
113 2YLD CMO 8.33333
114 1JQ9 PHE LEU SER TYR LYS 8.33333
115 4LY9 1YY 8.33333
116 3RUG DB6 8.33333
117 1EWF PC1 8.33333
118 5J6D 6H5 8.33333
119 3V66 D3A 8.33333
120 4LY9 S6P 8.33333
121 5OCM 9RH 8.33333
122 1R6N 434 9.16667
123 4OIV XX9 9.16667
124 5OSW DIU 9.16667
125 2Q2Y MKR 9.16667
126 2Q2Y ADP 9.16667
127 3OKI OKI 9.16667
128 3RUU 37G 9.16667
129 2J8C U10 9.16667
130 2J8C SPO 9.16667
131 3BEJ MUF 9.16667
132 3NB0 G6P 9.16667
133 5OCA 9QZ 10
134 2WOR 2AN 10
135 2XSU PIE 10
136 4DDY DN6 10
137 1TV5 N8E 10
138 6C0B PAM 10.8333
139 1UHK CZN 10.8333
140 5LIA 6XN 10.8333
141 5HJQ I3P 10.8333
142 3G9E RO7 10.8333
143 2P4Y C03 10.8333
144 3FUR Z12 10.8333
145 6B5Q PPI CZS 2KY MLY 1XY 10.8333
146 4WO4 JLS 11
147 5WL1 D3D 11.1111
148 5WL1 CUY 11.1111
149 3HUJ AGH 11.1111
150 5C9J DAO 11.1111
151 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 11.1111
152 4G86 BNT 11.6667
153 5W7B MYR 11.6667
154 4ORM 2V6 11.6667
155 4ORM FMN 11.6667
156 4ORM ORO 11.6667
157 3AQT RCO 11.6667
158 2AK3 AMP 11.6667
159 4YSX E23 11.6667
160 5O6Y 5YA 11.6667
161 4OGQ 7PH 11.7647
162 4OGQ SQD 11.7647
163 1T0S BML 12.5
164 1LNX URI 12.5
165 4X6F 3XU 12.5
166 1DMH LIO 12.5
167 5LX9 OLB 13.3333
168 3H0A D30 13.3333
169 5LWY OLB 13.3333
170 5VLQ ANP 13.3333
171 3LN0 52B 13.3333
172 4MA7 P2Z 14.1667
173 5K53 STE 14.1667
174 1TMX HGX 15
175 5X3R 7Y3 15
176 3X01 AMP 15.8333
177 6CB2 OLC 16.6667
178 5LXT GDP 16.6667
179 5LXT 7AK 16.6667
180 5EK3 5PK 17.5
181 4TV1 36M 18.3333
182 5AAV GW5 18.3333
183 2QE4 JJ3 18.3333
184 3E85 BSU 18.3333
185 4MGA 27L 18.3333
186 4HIA FMN 19.1667
187 1H9G COA MYR 20
188 4OAR 2S0 20.8333
189 1SR7 MOF 20.8333
190 2BCG GER 27.5
191 5NNT DPV 43.2432
Pocket No.: 2; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 50
This union binding pocket(no: 2) in the query (biounit: 4hbm.bio11) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 3WYJ H78 None
2 1E4I NFG 2.5
3 2VDY HCY 2.5
4 5NCB JZ3 2.5
5 5UGW GSH 3.33333
6 2C78 PUL 3.33333
7 3SCM LGN 3.38164
8 5IJJ I6P 4.16667
9 4JD3 PLM 4.16667
10 4JD3 COA 4.16667
11 3SFI 3SF 4.16667
12 5B4B LP5 4.16667
13 1PZO CBT 4.56274
14 2QJY SMA 5
15 1MT1 AG2 5.30973
16 3OGN 3OG 5.83333
17 2OS2 OGA 5.83333
18 2QQC AG2 6.25
19 6FMC DUE 6.66667
20 4JX1 CAH 6.66667
21 2GTE VA 6.66667
22 5TSU CYS 6.66667
23 3HP9 CF1 6.66667
24 6DCH CHT 6.66667
25 2VWA PTY 6.93069
26 1N13 AG2 7.5
27 2QQD AG2 7.5
28 5L8N 6RQ 8.33333
29 4RLT FSE 8.33333
30 5NC9 8SZ 9.16667
31 3DCT 064 9.16667
32 4B7X NAP 10
33 1KSK URA 10.8333
34 4IA6 EIC 11.6667
35 3NJQ NJQ 11.6667
36 2Y69 CHD 13.5135
37 5Z84 CHD 13.6986
38 5W97 CHD 13.6986
39 5ZCO CHD 13.6986
40 3FAL REA 14.1667
41 1H5R G1P 15
42 4P42 PEE 15
43 2QZO KN1 18.3333
44 5HYR EST 18.3333
45 2QA8 GEN 18.3333
46 5DXE EST 18.3333
47 5WGD EST 18.3333
48 3UUD EST 18.3333
49 5EW9 5VC 29.1667
50 1P0H ACO 30
Pocket No.: 3; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 38
This union binding pocket(no: 3) in the query (biounit: 4hbm.bio11) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4XU6 TDA None
2 5TVI MYR None
3 2BW7 ECS None
4 4X8O AP5 None
5 5OF1 SAL None
6 2VBQ BSJ None
7 5TVI O8N None
8 2J7T 274 2.5
9 4PLT NAI 2.5
10 4PLT OXM 2.5
11 1V35 NAI 2.5
12 2V57 PRL 3.33333
13 1XHL NDP 3.33333
14 5XFV FMN 4.16667
15 5DM1 5D7 4.16667
16 3MKH FAD 4.16667
17 2DM6 IMN 5.83333
18 1Q7E MET 5.83333
19 5LY1 PPI 5.83333
20 4N4J HG1 6.66667
21 5Z1N PEF 8.33333
22 1OYF MHN 8.33333
23 2E2R 2OH 9.16667
24 1XKQ NDP 10
25 2HFP NSI 10.8333
26 3CX5 SMA 11.6667
27 3CXH SMA 11.6667
28 6GSG RCO 12.5
29 1OVD FMN 13.3333
30 1OVD ORO 13.3333
31 4MRP GSH 13.3333
32 2DYR TGL 13.6986
33 2DYS TGL 13.6986
34 5ZCO TGL 13.6986
35 5Z84 TGL 13.6986
36 4WZ8 3W7 16.6667
37 2A06 SMA 21.6667
38 2YNC YNC 26.6667
Pocket No.: 4; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 59
This union binding pocket(no: 4) in the query (biounit: 4hbm.bio5) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZFZ ARG None
2 4WG0 CHD None
3 2GJ3 FAD None
4 4Y30 49L None
5 4QAG F95 None
6 4Y30 SAH None
7 1QG6 TCL None
8 5G3N X28 None
9 5FFF NAP 1.66667
10 4V24 GYR 1.66667
11 1YOK P6L 1.66667
12 1PZG A3D 2.5
13 1NNU TCT 2.5
14 1NNU NAD 2.5
15 3C3N FMN 3.33333
16 5HWO HMG 3.33333
17 4UMJ BFQ 3.71622
18 3MJY FMN 4.16667
19 3MJY IJZ 4.16667
20 2PD4 DCN 4.16667
21 1PR9 NAP 4.16667
22 2YI0 YI0 4.16667
23 3RG9 WRA 5
24 3RG9 NDP 5
25 1FCZ 156 5
26 3FC2 IBI 5
27 2FR3 REA 5.83333
28 1T27 PCW 5.83333
29 1Z83 AP5 5.83333
30 1T26 NAI 6.66667
31 1T26 GBD 6.66667
32 3KDU NKS 6.66667
33 5N9T 8QQ 6.66667
34 3QLM PLM 6.66667
35 3B9Z CO2 6.66667
36 5WQP NCA 7.5
37 5LOF 70R 7.5
38 4N02 FNR 7.5
39 3T6E UQ9 7.5
40 2ZCQ B65 8.33333
41 3O26 NDP 8.33333
42 3WXB NDP 9.16667
43 2OBF F83 9.16667
44 1LLU NAD 10
45 4KWD JF2 10.8333
46 2ZAT NAP 10.8333
47 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 11
48 5IKH 6BW 12.5
49 1IID NHM 12.5
50 1WOR RED 13.3333
51 6CQF F97 15.8333
52 1F0X FAD 16.6667
53 5OLK DTP 17.5
54 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 19.1667
55 5IM3 DTP 19.1667
56 3Q8G PEE 20
57 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 20
58 5KD8 TNR 24.1667
59 6AMI TRP 25.8333
Pocket No.: 5; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 25
This union binding pocket(no: 5) in the query (biounit: 4hbm.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 4RYV ZEA None
2 3L0E G58 None
3 4O4Z N2O None
4 3KFC 61X None
5 3QKD HI0 None
6 2ITM XUL 0.619835
7 2YIV YIV 2.5
8 6F9G PUT 2.5
9 2HZL PYR 4.16667
10 5AOV GLV 4.16667
11 2FDW D3G 5
12 5IXK 6EW 5
13 3VRV YSD 5.83333
14 3RWP ABQ 5.83333
15 3DUV KDO 6.66667
16 3A7R LAQ 6.66667
17 2D09 FLV 6.66667
18 3LXI CAM 7.5
19 4PGK Y69 7.5
20 1DB1 VDX 7.5
21 1YYE 196 7.5
22 2IV2 MGD 8.33333
23 6G5Q EMZ 8.33333
24 4OGQ 1O2 11.7647
25 5FH7 5XL 13.3333
Pocket No.: 6; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 13
This union binding pocket(no: 6) in the query (biounit: 4hbm.bio10) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO None
2 6BJO DUY None
3 5LLT DND 5
4 3KV4 OGA 5
5 4S1D 41M 6.07477
6 3B12 FAH 9.16667
7 1ZED PNP 9.16667
8 4DE3 DN8 10
9 2A9W GA9 15
10 4TUZ 36J 18.3333
11 1ZPD CIT 20.8333
12 2WPF FAD 25
13 1YFS ALA 25.8333
Pocket No.: 7; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 2
This union binding pocket(no: 7) in the query (biounit: 4hbm.bio10) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZGM 32M None
2 5U98 1KX 11.1111
Pocket No.: 8; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 21
This union binding pocket(no: 8) in the query (biounit: 4hbm.bio6) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5O98 NAP None
2 1QG6 NAD None
3 3KPX CZH None
4 3ICC NAP None
5 4CQM NAP 2.5
6 3D3W NAP 4.16667
7 4UDB CV7 4.16667
8 3KXC PLM 5.83333
9 1AE1 NAP 6.66667
10 5MU6 MYA 7.5
11 5MU6 KFK 7.5
12 1FK8 NAD 7.7821
13 4O0L NDP 8.33333
14 1Z6Z NAP 10.8333
15 6BYM HC3 10.8333
16 1NFQ NAI 12.5
17 1CX9 NHP 15.8333
18 3LKJ LKJ 17.5
19 4C2X NHW 25.8333
20 2YNE YNE 26.6667
21 2YNE NHW 26.6667
Pocket No.: 9; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 6
This union binding pocket(no: 9) in the query (biounit: 4hbm.bio2) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 4MPO AMP None
2 1UUO BRF None
3 3CGD FAD 5.83333
4 6BVJ EAS 8.33333
5 4URX FK1 8.33333
6 5N1P 8GK 9.16667
Pocket No.: 10; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 23
This union binding pocket(no: 10) in the query (biounit: 4hbm.bio8) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6GG9 FMN None
2 3OID NDP None
3 5CSD ACD None
4 4M73 M72 None
5 4M73 SAH None
6 1W73 NAP 2.5
7 6ESN BWE 5
8 1WMA NDP 5.83333
9 1WMA AB3 5.83333
10 3TDC 0EU 5.83333
11 2WYV NAD 5.83333
12 2GDZ NAD 5.83333
13 1XPK HMG 7.5
14 5C3R HMU 9.16667
15 5C3R AKG 9.16667
16 4J7U NAP 10.8333
17 4J7U YTZ 10.8333
18 1OAA OAA 11.6667
19 2EVL GAL SPH EIC 11.6667
20 4OGQ 2WD 11.7647
21 1V97 MTE 13.3333
22 4BXK 1IU 15
23 4BFW ZVW 35.8333
Pocket No.: 11; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 7
This union binding pocket(no: 11) in the query (biounit: 4hbm.bio7) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1W6U NAP 3.33333
2 2XXP DSL 4.16667
3 5HCV 60R 4.16667
4 1QV1 CZH 5
5 1XPM HMG 7.5
6 4FC7 COA 8.33333
7 4FC7 NAP 8.33333
Pocket No.: 12; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 30
This union binding pocket(no: 12) in the query (biounit: 4hbm.bio9) has 78 residues
No: Leader PDB Ligand Sequence Similarity
1 4CQK PIO None
2 3N7S 3N7 None
3 4EKQ NPO None
4 4NB5 2JT None
5 5EY0 GTP None
6 3QDW A2G None
7 3IX9 MTX None
8 1I0B PEL 2.5
9 1ID0 ANP 2.5
10 5TCI MLI 3.33333
11 4O6M C5P 3.33333
12 4YMU ARG 5.83333
13 4RW3 SHV 5.83333
14 1DTL BEP 6.66667
15 6MVU K4V 6.66667
16 1XVB 3BR 6.66667
17 1HBK MYR 6.74157
18 5EE7 5MV 7.5
19 5Z3I ADE 9.16667
20 2O1V ADP 9.16667
21 5OSW AE4 9.16667
22 3R9V DXC 10
23 4I67 G G G RPC 10
24 5V3Y 5V8 10
25 2PRG BRL 10.8333
26 5TWO 7MV 10.8333
27 4OGQ UMQ 11.7647
28 5XK9 GST 15
29 5M36 9SZ 16.6667
30 4MGD 27N 18.3333
Pocket No.: 13; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 15
This union binding pocket(no: 13) in the query (biounit: 4hbm.bio9) has 79 residues
No: Leader PDB Ligand Sequence Similarity
1 5YZ2 AMP None
2 1J78 OLA 2.5
3 1PNF NDG NAG 4.16667
4 4XNV BUR 4.16667
5 1R37 ETX 4.16667
6 6BMS POV 5
7 5LGD PLM 5
8 1U3R 338 5
9 2OFV 242 6.66667
10 6B21 C9V 6.66667
11 6BVM EBV 8.33333
12 5HTX ADP 10.8333
13 6A5Y 9CR 13.3333
14 5WGQ EST 18.3333
15 2HEK GDP 19.1667
Pocket No.: 14; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 6
This union binding pocket(no: 14) in the query (biounit: 4hbm.bio12) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZUX RAM 3.33333
2 2WG9 OCA 3.33333
3 5YB7 ORN 5
4 3GWT 066 5.83333
5 3CEV ARG 12.5
6 2XCU C5P 27.5
Pocket No.: 15; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 1
This union binding pocket(no: 15) in the query (biounit: 4hbm.bio12) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5WQP NAP 7.5
Pocket No.: 16; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: 25
This union binding pocket(no: 16) in the query (biounit: 4hbm.bio4) has 55 residues
No: Leader PDB Ligand Sequence Similarity
1 4OHU 2TK None
2 4OHU NAD None
3 4D7M TDC 2.5
4 4OMJ 2TX 3.33333
5 4GFD 0YB 4.16667
6 2P1C GG3 5
7 5TO8 7FM 5
8 3CGD NAD 5.83333
9 3CGD COA 5.83333
10 5KOR GDP 5.83333
11 2ZJ1 NAD 5.83333
12 2ZJ1 ARJ 5.83333
13 6BVI EC4 8.33333
14 3P0K FAD 10
15 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 10.8333
16 3T03 3T0 10.8333
17 3N7H DE3 10.8333
18 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 11
19 2XMY CDK 11.6667
20 2E3N 6CM 12.5
21 1RDT 570 13.3333
22 1FM9 570 13.3333
23 3NJ4 NAD 14.1667
24 5J6A P46 18.3333
25 3GYT DL4 21.6667
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