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Receptor
PDB id Resolution Class Description Source Keywords
3MTW 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF L-LYSINE, L-ARGININE CARBOXYPEPTIDASE C CAULOBACTER CRESCENTUS CB15 COMPLEXED WITH N-METHYL PHOSPHOD ERIVATIVE OF L-ARGININE CAULOBACTER VIBRIOIDES HYDROLASE
Ref.: FUNCTIONAL IDENTIFICATION AND STRUCTURE DETERMINATI NOVEL PROLIDASES FROM COG1228 IN THE AMIDOHYDROLASE SUPERFAMILY BIOCHEMISTRY V. 49 6791 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:3;
A:432;
A:433;
A:434;
A:435;
A:436;
A:437;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
M3R A:430;
Valid;
none;
Ki = 92 nM
252.208 C7 H17 N4 O4 P [H]/N...
PEG A:438;
A:439;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
SO4 A:4;
A:431;
A:5;
A:6;
A:7;
A:8;
A:9;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:1;
A:2;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MTW 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF L-LYSINE, L-ARGININE CARBOXYPEPTIDASE C CAULOBACTER CRESCENTUS CB15 COMPLEXED WITH N-METHYL PHOSPHOD ERIVATIVE OF L-ARGININE CAULOBACTER VIBRIOIDES HYDROLASE
Ref.: FUNCTIONAL IDENTIFICATION AND STRUCTURE DETERMINATI NOVEL PROLIDASES FROM COG1228 IN THE AMIDOHYDROLASE SUPERFAMILY BIOCHEMISTRY V. 49 6791 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 3MTW Ki = 92 nM M3R C7 H17 N4 O4 P [H]/N=C(N)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3MTW Ki = 92 nM M3R C7 H17 N4 O4 P [H]/N=C(N)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 3MTW Ki = 92 nM M3R C7 H17 N4 O4 P [H]/N=C(N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M3R; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 M3R 1 1
2 AAG 0.571429 0.74
3 6DB 0.54902 0.770833
4 2W2 0.528302 0.7
5 CMA 0.509434 0.660377
6 SUG 0.509091 0.692308
7 G01 0.479167 0.77551
8 1OV 0.469388 0.77551
9 G3M 0.442308 0.634615
10 HRG 0.403846 0.653061
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: 49
This union binding pocket(no: 6) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 2WM1 13P 1.78571
3 5LV1 78T 1.78571
4 2DVX 23A 1.83486
5 4OUE IPT 1.98511
6 3CV2 OXL 2.23325
7 2ZBL BMA 2.23325
8 2GN4 UD1 2.32558
9 2IMP LAC 2.72953
10 1EM6 NBG 2.72953
11 5AAV GW5 2.77778
12 1TKU 5RP 2.94118
13 5L13 6ZE 2.97767
14 3H78 BE2 3.06407
15 4KJG 4NP 3.07377
16 3U7Q HCA 3.22581
17 6F90 MVL 3.47395
18 1OFZ FUL 3.52564
19 1OFZ FUC 3.52564
20 2UXR ICT 3.73134
21 4IGH ORO 3.76344
22 4IGH FMN 3.76344
23 4IGH 1EA 3.76344
24 3ZNN FAD 4.03458
25 3ZNN 4WL 4.03458
26 4L9Z OXL 4.12979
27 4K7O EKZ 4.16667
28 5Y6Q MCN 4.24242
29 1D8C GLV 4.4665
30 2H12 OAA 4.4665
31 1P7T PYR 4.4665
32 4L80 OXL 4.5977
33 4K90 MLA 4.62725
34 3KP6 SAL 4.63576
35 3FIU POP 4.81928
36 5L2R MLA 4.96278
37 2VOH CIT 5.09554
38 4I9B 1KA 5.21092
39 6C1S EFV 5.21092
40 3ANY 2A3 5.32319
41 5G5G MCN 5.34591
42 4URX FK1 5.40541
43 2I6U NVA 5.53746
44 1FWE HAE 7
45 1PZG A3D 7.85498
46 3QIN P1Y 8.66667
47 4LAM 5CU 9.04255
48 1MID LAP 10.989
49 1N62 MCN 13.8554
Pocket No.: 7; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: 3
This union binding pocket(no: 9) in the query (biounit: 3mtw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3URB DPF 3.36391
2 3MA0 XYP 3.83387
3 5MB4 NAG 4.2394
Pocket No.: 10; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3mtw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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