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Receptor
PDB id Resolution Class Description Source Keywords
1V7Z 1.6 Å EC: 3.5.2.10 CREATININASE-PRODUCT COMPLEX PSEUDOMONAS SP. MN-ACTIVATED CREATININASE SUBSTRATE COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURES OF CREATININASE REVEAL THE SUBSTRATE BINDING SITE AND PROVIDE AN INSIGHT INTO THE CATALYTIC MECHANISM J.MOL.BIOL. V. 337 399 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CRN A:401;
B:3401;
C:4401;
D:5401;
E:6401;
F:7401;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
131.133 C4 H9 N3 O2 CN(CC...
MN A:300;
B:3300;
C:4300;
D:5300;
E:6300;
F:7300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
SO4 A:501;
A:502;
A:503;
B:3501;
B:3502;
B:3503;
C:4501;
C:4502;
C:4503;
D:5501;
D:5502;
D:5503;
E:6501;
E:6502;
E:6503;
F:7501;
F:7502;
F:7503;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:301;
B:3301;
C:4301;
D:5301;
E:6301;
F:7301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V7Z 1.6 Å EC: 3.5.2.10 CREATININASE-PRODUCT COMPLEX PSEUDOMONAS SP. MN-ACTIVATED CREATININASE SUBSTRATE COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURES OF CREATININASE REVEAL THE SUBSTRATE BINDING SITE AND PROVIDE AN INSIGHT INTO THE CATALYTIC MECHANISM J.MOL.BIOL. V. 337 399 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1V7Z - CRN C4 H9 N3 O2 CN(CC(=O)O....
2 3A6D - MGX C2 H7 N3 [H]/N=C(/N....
3 3A6J - CRN C4 H9 N3 O2 CN(CC(=O)O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1V7Z - CRN C4 H9 N3 O2 CN(CC(=O)O....
2 3A6D - MGX C2 H7 N3 [H]/N=C(/N....
3 3A6J - CRN C4 H9 N3 O2 CN(CC(=O)O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1V7Z - CRN C4 H9 N3 O2 CN(CC(=O)O....
2 3A6D - MGX C2 H7 N3 [H]/N=C(/N....
3 3A6J - CRN C4 H9 N3 O2 CN(CC(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CRN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CRN 1 1
2 CMS 0.6 0.775
3 DMG 0.5 0.621622
4 IOM 0.448276 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found with APoc: 63
This union binding pocket(no: 1) in the query (biounit: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5FPE 3TR 1.53846
2 1EB1 ZAL PRO MMO 1.94553
3 4AX9 N5N 1.94553
4 5CGE 51F 2.30769
5 3LL5 ATP 2.40964
6 3SUD SUE 2.46305
7 4TWP AXI 2.69231
8 5H1W LER 2.69231
9 5EOB 5QQ 2.69231
10 5LQ8 GB 2.69231
11 1JG3 ADN 2.97872
12 2P8O BVA 3.05344
13 4LIK CIT 3.07692
14 2H3H BGC 3.07692
15 1C1X HFA 3.07692
16 1BW9 PPY 3.07692
17 1RZM E4P 3.07692
18 4X6I 3Y1 3.25581
19 5A9A UTP 3.29218
20 4XJC TTP 3.38983
21 6FHQ DE5 3.44828
22 1FUR MLT 3.46154
23 1RJD SAM 3.46154
24 2ZWA SAH 3.46154
25 5XLS URA 3.46154
26 5ZQY AR6 3.46154
27 5IXB LGA 3.7037
28 3N5O GSH 3.82979
29 1GY8 NAD 4.23077
30 3LKF PC 4.23077
31 1D6Z HY1 4.23077
32 5THQ NDP 4.23077
33 1V0C KNC 4.45545
34 2EC9 24X 4.92958
35 4UXL 5P8 5.2795
36 3OTH TYD 5.33981
37 3FGZ BEF 5.46875
38 2J5V RGP 6.15385
39 2C91 NAP 6.15385
40 5CX6 CDP 6.15385
41 3WW2 SF9 6.25
42 6C0B MLI 6.53846
43 4V3C C 6.92308
44 5MW4 5JU 7.30769
45 1XPJ TLA 7.93651
46 1RSG FAD 8.07692
47 1YY5 FAD 8.07692
48 6BR7 BEF 8.27068
49 1QXO FMN 8.46154
50 1UWK NAD 8.84615
51 1UWK URO 8.84615
52 2VJ8 HA2 9.23077
53 2IW1 U2F 9.61539
54 5O6Y 5YA 9.81308
55 5BSR COA 10
56 5WA0 MSS 10.7692
57 2VHW NAI 11.5385
58 1L7N AF3 12.7962
59 1L7N ALF 12.7962
60 5CYV WCA 13.0137
61 1LSS NAD 17.8571
62 1SQL GUN 28.0822
63 1L0I PSR 28.2051
Pocket No.: 2; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found with APoc: 13
This union binding pocket(no: 2) in the query (biounit: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4KQI RBZ 1.92308
2 3V4S ADP 2.69231
3 5U6C 7YS 3.07692
4 5JFS 6K0 3.46154
5 1ORR NAD 4.03458
6 1N62 FAD 4.81928
7 3KA2 2NC 4.92611
8 2XTS MTE 5.38462
9 3NW7 LGV 6.15385
10 2R40 EPH 7.30769
11 1WS5 MMA 10.5263
12 4PW9 MSS 10.7692
13 4N14 WR7 12.6923
Pocket No.: 3; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found with APoc: 19
This union binding pocket(no: 3) in the query (biounit: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4KQI NIO 1.92308
2 4CS4 ANP 2.30769
3 4CS4 AXZ 2.30769
4 1ZX5 LFR 2.30769
5 6EXS C3H 2.69231
6 4C2C ALA ALA ALA 3.07692
7 2YN4 39J 3.38983
8 2HK5 1BM 3.46154
9 4U8P UDP 3.46154
10 3AB4 THR 4.23077
11 1B8U OAA 4.23077
12 1WB4 SXX 4.61538
13 3HQP OXL 4.61538
14 4FWE FAD 5.76923
15 4Q5M ROC 6.40394
16 4XRZ SI6 8.07692
17 6AMI TRP 9.23077
18 3LEV ATP 9.34579
19 1PJ6 FOL 16.9231
Pocket No.: 4; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3LL5 ADP 2.40964
2 3LL5 IPE 2.40964
3 2WPB ZZI 3.07692
4 5FAH 5VT 3.125
5 4NSQ COA 3.68421
6 1T0S BML 4.23077
7 4UZI IMD 4.61538
8 2VMG MBG 5.09554
9 3QF7 ANP 5.76923
10 1UKZ ADP 6.89655
11 3HRD FAD 6.92308
12 2GQT FAD 7.69231
13 1F2U ATP 12.7517
14 4NKW PLO 15
Pocket No.: 5; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found with APoc: 9
This union binding pocket(no: 5) in the query (biounit: 1v7z.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1C1D PHE 3.07692
2 1FEC FAD 3.46154
3 1LQA NDP 3.84615
4 4C0X FMN 4.4335
5 1X87 NAD 4.61538
6 2Z4T C5P 5
7 4Y4V DAL 5.76923
8 4JTA NAP 6.15385
9 5TTJ FAD 7.69231
Pocket No.: 6; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found with APoc: 8
This union binding pocket(no: 6) in the query (biounit: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6C74 PC None
2 1QO8 FAD 3.07692
3 5YJF SAH 4.23077
4 3GUZ PAF 6.25
5 3FSY SCA 6.92308
6 1U2Z SAH 7.30769
7 5ECP ATP 10.3139
8 5E5U MLT 12.0603
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