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Receptor
PDB id Resolution Class Description Source Keywords
6E2B 1.45 Å NON-ENZYME: OTHER UBIQUITIN IN COMPLEX WITH PT(2-PHENILPYRIDINE)(PPH3) BOS TAURUS CYCLOMETALLATED PLATINUM (II) COMPLEX UBIQUITIN PLATINUM COORDINATION PROTEIN BINDING
Ref.: REACTIONS OF CYCLOMETALATED PLATINUM(II) [PT(N∧C)(PR3)CL] COMPLEXES WITH IMIDAZOLE AND IMIDAZOLE-CONTAINING BIOMOLECULES: FINE-TUNING OF R AND PHOTOPHYSICAL PROPERTIES VIA LIGAND DESIGN. INORG CHEM 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:102;
I:101;
P:101;
P:102;
P:103;
A:101;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL C:102;
C:104;
E:101;
A:103;
A:104;
C:101;
I:103;
I:102;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PT7 A:105;
C:103;
P:104;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.03;
Atoms found LESS than expected: % Diff = 0.03;
Atoms found LESS than expected: % Diff = 0.03;
submit data
647.004 C29 H23 Cl N P Pt c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6E2B 1.45 Å NON-ENZYME: OTHER UBIQUITIN IN COMPLEX WITH PT(2-PHENILPYRIDINE)(PPH3) BOS TAURUS CYCLOMETALLATED PLATINUM (II) COMPLEX UBIQUITIN PLATINUM COORDINATION PROTEIN BINDING
Ref.: REACTIONS OF CYCLOMETALATED PLATINUM(II) [PT(N∧C)(PR3)CL] COMPLEXES WITH IMIDAZOLE AND IMIDAZOLE-CONTAINING BIOMOLECULES: FINE-TUNING OF R AND PHOTOPHYSICAL PROPERTIES VIA LIGAND DESIGN. INORG CHEM 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 6E2B - PT7 C29 H23 Cl N P Pt c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 6E2B - PT7 C29 H23 Cl N P Pt c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 6E2B - PT7 C29 H23 Cl N P Pt c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PT7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PT7 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6E2B; Ligand: PT7; Similar sites found with APoc: 190
This union binding pocket(no: 1) in the query (biounit: 6e2b.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5FUI APY None
2 3LXN MI1 None
3 6FA4 D1W None
4 4GJ3 0XP None
5 5TA6 79D None
6 5A6N U7E None
7 5HCY 60D None
8 1U5R ATP None
9 4E1Z 0MX None
10 6C7Y ADP None
11 4OCJ NDG None
12 3PLS ANP None
13 3I0O ADP None
14 5LVP ATP None
15 3SLS ANP None
16 2Z3U CRR None
17 5TO8 7FM None
18 4Y0X ADP None
19 4YEF 4CQ None
20 4YZN 4K5 None
21 1UNQ 4IP None
22 5H9P TD2 None
23 1SGJ OAA None
24 5DF1 58X None
25 5DF1 NAP None
26 4RF7 ARG None
27 3G5D 1N1 None
28 3IWD M2T None
29 3ALN ANP None
30 5AE9 OKO None
31 4YEE 4CQ None
32 1FUT 2GP None
33 4DDY DN6 None
34 3THR C2F None
35 3NZ1 3NY None
36 3TKI S25 None
37 4H3Q ANP 2.63158
38 5A89 ADP 2.63158
39 5BVE 4VG 2.63158
40 5IH9 6BF 2.63158
41 4X6F 3XU 2.63158
42 4H3P ANP 2.63158
43 4BFM ANP 2.63158
44 1JBU BEN 3.1746
45 1GPM AMP 3.94737
46 2WQN ADP 3.94737
47 6GN6 MAL 3.94737
48 2V58 LZJ 3.94737
49 2O07 MTA 3.94737
50 5TH5 7C5 3.94737
51 2ZV2 609 3.94737
52 5OCG 9R5 5.26316
53 4UAL 3FV 5.26316
54 5OES ADP 5.26316
55 2GOO NDG 5.26316
56 5XDT ZI7 5.26316
57 3MVH WFE 5.26316
58 3V8S 0HD 5.26316
59 3ETH ATP 5.26316
60 4CC6 L5Y 5.26316
61 1CLU DBG 5.26316
62 5UWA 8ND 5.26316
63 5I35 ANP 5.26316
64 5M06 ADP 5.26316
65 1ELI PYC 6.57895
66 3LXK MI1 6.57895
67 3DLS ADP 6.57895
68 4IZY 1J2 6.57895
69 6CMJ F6J 6.57895
70 3KAL ADP 6.57895
71 4M3P HCS 6.57895
72 5UIU 8CG 7.73994
73 5L2R MLA 7.89474
74 4UWJ 7L5 7.89474
75 4UWJ MYA 7.89474
76 6AC9 ANP 7.89474
77 1Q8Y ADE 7.89474
78 5CEO 50D 7.89474
79 3ZF8 GDP 7.89474
80 3Q60 ATP 7.89474
81 5JZJ AN2 7.89474
82 3ZXE PGZ 7.89474
83 4M69 ANP 7.89474
84 2RIO ADP 7.89474
85 5C03 AGS 7.89474
86 6F3G CJN 8.47458
87 6A1G 9OL 9.21053
88 5MU6 KFK 9.21053
89 5MU6 MYA 9.21053
90 4KS7 X4Z 9.21053
91 1IA9 ANP 9.21053
92 4F9C 0SX 9.21053
93 4UX9 ANP 9.21053
94 4DC2 ADE 9.21053
95 4L9I 8PR 9.21053
96 3ZX4 2M8 9.21053
97 5AWM ANP 9.21053
98 4XZ3 ACP 9.21053
99 3TXO 07U 9.21053
100 5UPK ANP 9.21053
101 5LI1 ANP 9.21053
102 1E4E ADP 9.21053
103 2V7O DRN 9.21053
104 5LI9 ACP 9.21053
105 5U97 PIT 9.21053
106 1DZK PRZ 9.21053
107 2CYC TYR 9.21053
108 2BOS GLA GAL GLC 10.2941
109 2BOS GLA GAL GLC NBU 10.2941
110 4L3L 5FI 10.5263
111 2RCU BUJ 10.5263
112 2YC5 6BC 10.5263
113 5A5W GUO 10.5263
114 3ORQ ADP 10.5263
115 6GR0 F8W 10.5263
116 4H69 10Y 10.5263
117 5Y86 HRM 10.5263
118 2PVN P63 10.5263
119 5VZ0 ADP 10.5263
120 3AKK ADP 10.5263
121 1BYG STU 11.8421
122 3HAV ATP 11.8421
123 2R5T ANP 11.8421
124 1RE8 BD2 11.8421
125 2Z7R STU 11.8421
126 2YNE YNE 11.8421
127 2YNE NHW 11.8421
128 5L8L ADP 11.8421
129 1XJD STU 11.8421
130 4FL3 ANP 11.8421
131 5ZCT ANP 11.8421
132 4WB6 ATP 11.8421
133 1M0W ANP 11.8421
134 1IR3 ANP 11.8421
135 2H29 DND 11.8421
136 5WO4 B7V 13.1579
137 4OTH DRN 13.1579
138 5N87 N66 13.1579
139 2JLD AG1 13.1579
140 4X3R 686 13.1579
141 1O9U ADZ 13.1579
142 1N7G NDP 13.1579
143 4N70 2HX 14.4737
144 5UR1 YY9 14.4737
145 5KJW 53C 14.4737
146 1GT4 UNA 14.4737
147 5UKL SIX 14.4737
148 4Y8D 49J 14.4737
149 1EHI ADP 14.4737
150 4U98 ACP 14.4737
151 2Q7D ANP 14.4737
152 3DLG GWE 14.4737
153 3PVW QRX 15.7895
154 3VPB ADP 15.7895
155 4C2W ANP 15.7895
156 3V4S ATP 15.7895
157 3SAO DBH 15.7895
158 2XIQ 5AD 15.7895
159 1GSA ADP 17.1053
160 2YN4 39J 17.1053
161 2AG4 OLA 18.4211
162 1G51 AMP 18.4211
163 5USZ SKE 18.4211
164 2RKV ZBA 18.4211
165 3FHI ANP 18.4211
166 6EK3 OUL 18.4211
167 2AG4 LP3 18.4211
168 2RKV COA 18.4211
169 3RI1 3RH 19.7368
170 4QMN DB8 19.7368
171 6GNO XDI 21.0526
172 6C1S EFV 21.0526
173 6C0T EE4 21.0526
174 1V0O INR 21.0526
175 1E4I NFG 22.3684
176 4YMJ 4EJ 23.6842
177 3VOT ADP 25
178 4GLW 0XT 26.3158
179 2VL1 GLY GLY 26.3158
180 2QK4 ATP 26.3158
181 2QCS ANP 27.6316
182 5HQ0 LZ9 28.9474
183 6GU6 1QK 28.9474
184 3GC0 AMP 31.5789
185 3K5I ADP 34.2105
186 2BPM 529 36.8421
187 4BCM T7Z 36.8421
188 4CFU 2WC 36.8421
189 6GUE FB8 36.8421
190 1MEX RAC 38.1579
Pocket No.: 2; Query (leader) PDB : 6E2B; Ligand: PT7; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 6e2b.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2CYB TYR None
2 3RWP ABQ None
3 1OUK 084 None
4 3VPD ANP None
5 2NNQ T4B None
6 2DTJ THR None
7 3NV3 GAL NAG MAN None
8 4FK7 P34 None
9 3E8N ATP None
10 3E8N VRA None
11 3VQ2 LP4 LP5 MYR DAO None
12 3SRV S19 None
13 5O0B 9FE None
14 3FC2 IBI None
15 2IO8 ADP 2.63158
16 4OCV ANP 3.94737
17 5DEY 59T 5.26316
18 4LH7 1X8 7.89474
19 4TVD BGC 7.89474
20 1PVN MZP 9.21053
21 6CGZ HL6 9.21053
22 1JCM 137 10.5263
23 1F9V ADP 11.8421
24 5OMY 9YE 11.8421
25 3TTI KBI 11.8421
26 3EKK GS2 11.8421
27 4NWJ 3PG 11.8421
28 2QX0 PH2 14.4737
29 4WNK 453 15.7895
30 4K38 SAM 15.7895
31 4YZC STU 17.1053
32 3AB4 THR 17.1053
33 5LY1 PPI 18.4211
34 4NBW NAD 18.4211
35 5X8G S0N 19.7368
36 3KV8 FAH 22.3684
37 2B9F ADP 23.6842
38 2B9J ADP 23.6842
39 4XVX P6G FDA 27.6316
40 2XG5 EC5 31.5789
41 2XG5 EC2 31.5789
42 1CM8 ANP 31.5789
43 4BCQ TJF 36.8421
Pocket No.: 3; Query (leader) PDB : 6E2B; Ligand: PT7; Similar sites found with APoc: 46
This union binding pocket(no: 3) in the query (biounit: 6e2b.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1O97 AMP None
2 1O97 FAD None
3 1QY1 PRZ None
4 1HXD BTN None
5 4H6Q TFB None
6 3E2M E2M None
7 5EW9 5VC 2.63158
8 4C5N PXL 2.63158
9 4B0T ADP 3.94737
10 1EFY BZC 3.94737
11 3NX2 FER 5.26316
12 3ZNN 4WL 5.26316
13 3ZNN FAD 5.26316
14 1WPY BTN 5.26316
15 4S28 AIR 6.57895
16 4S28 SAH 6.57895
17 6ALW BNV 6.57895
18 5DQ8 FLF 7.89474
19 1ZPT FAD 7.89474
20 3BXO UPP 7.89474
21 5XVG 8FX 9.21053
22 3AYI FAD 9.21053
23 2OJW ADP 10.5263
24 5ZZ6 NAD 10.5263
25 1O94 AMP 11.8421
26 1QPR PHT 11.8421
27 6GWR FEW 13.1579
28 2EAE FUC 14.4737
29 3I9U DTU 15.7895
30 2OQ2 A3P 15.7895
31 2QF7 AGS 15.7895
32 1T36 ADP 17.1053
33 2VQ5 HBA 18.4211
34 1WW5 SGA BGC 18.4211
35 4WVO 3UZ 19.7368
36 5E5U 1PS 21.0526
37 5ECP MET 21.0526
38 5ECP ATP 21.0526
39 5ECP JAA 21.0526
40 3M3E GAL A2G NPO 25
41 4IPH 1FJ 26.3158
42 1IS3 LAT 26.3158
43 5ANU 58T 27.6316
44 1EFV FAD 28.9474
45 1TIW FAD 32.8947
46 1TIW TFB 32.8947
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