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Receptor
PDB id Resolution Class Description Source Keywords
1WKM 2.3 Å EC: 3.4.11.18 THE PRODUCT BOUND FORM OF THE MN(II)LOADED METHIONINE AMINOPEPTIDASE FROM HYPERTHERMOPHILE PYROCOCCUS FURIOSUS PYROCOCCUS FURIOSUS AMINOPEPTIDASE HYPERTHERMOPHILE METHIONINE COMPLEX HYDROLASE
Ref.: EPR AND X-RAY CRYSTALLOGRAPHIC CHARACTERIZATION OF THE PRODUCT-BOUND FORM OF THE MNII-LOADED METHIONYL AMINOPEPTIDASE FROM PYROCOCCUS FURIOSUS BIOCHEMISTRY V. 44 121 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET A:1298;
B:2298;
Valid;
Valid;
none;
none;
Ki = 150 mM
149.211 C5 H11 N O2 S CSCC[...
MN A:296;
A:297;
B:296;
B:297;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WKM 2.3 Å EC: 3.4.11.18 THE PRODUCT BOUND FORM OF THE MN(II)LOADED METHIONINE AMINOPEPTIDASE FROM HYPERTHERMOPHILE PYROCOCCUS FURIOSUS PYROCOCCUS FURIOSUS AMINOPEPTIDASE HYPERTHERMOPHILE METHIONINE COMPLEX HYDROLASE
Ref.: EPR AND X-RAY CRYSTALLOGRAPHIC CHARACTERIZATION OF THE PRODUCT-BOUND FORM OF THE MNII-LOADED METHIONYL AMINOPEPTIDASE FROM PYROCOCCUS FURIOSUS BIOCHEMISTRY V. 44 121 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1WKM Ki = 150 mM MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1WKM Ki = 150 mM MET C5 H11 N O2 S CSCC[C@@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1WKM Ki = 150 mM MET C5 H11 N O2 S CSCC[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MED 1 1
2 MET 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 MF3 0.5 0.647059
7 NVA 0.5 0.758621
8 HSE 0.466667 0.617647
9 DAB 0.466667 0.636364
10 MHO 0.457143 0.717949
11 SME 0.457143 0.717949
12 HCS 0.451613 0.733333
13 API 0.451613 0.606061
14 CDT 0.447368 0.756757
15 2MM 0.444444 0.657143
16 NLE 0.441176 0.766667
17 ONL 0.441176 0.71875
18 UN1 0.428571 0.606061
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 DGL 0.424242 0.625
22 GGL 0.424242 0.625
23 GLU 0.424242 0.625
24 CBH 0.418605 0.685714
25 ORN 0.411765 0.65625
26 FME 0.410256 0.84375
27 AME 0.410256 0.771429
28 LEU 0.40625 0.666667
29 JM6 0.4 0.7
30 CYS 0.4 0.666667
31 DCY 0.4 0.666667
32 C2N 0.4 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WKM; Ligand: MET; Similar sites found with APoc: 34
This union binding pocket(no: 1) in the query (biounit: 1wkm.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5GG9 8GT 1.35593
2 1JG9 GLC 1.69492
3 3UER TUR 1.69492
4 3UER BTU 1.69492
5 3EMZ HXH 2.37288
6 4S00 AKR 2.71186
7 2CET PGI 2.71186
8 2BNJ XYP XYP AHR FER 3.05085
9 1FH8 XYP XIF 3.05085
10 4P6C RES 3.36134
11 2C9O ADP 3.72881
12 3N0Y APC 3.91061
13 2FGL XYS XYS XYS 4.40678
14 4L8V NAP 4.74576
15 5HQA ACR 4.74576
16 1M5W DXP 4.93827
17 2UXI G50 5.2381
18 2QJN KDG 5.42373
19 2X6T NAP 5.42373
20 5KTN 13P 6.44068
21 4JKV 1KS 6.77966
22 1QIN GIP 7.10383
23 3L24 GOA 7.11864
24 5JR6 01B PRO PRO ALA NH2 7.37952
25 1VBR XYS XYP 7.45763
26 3B2Q ATP 8.13559
27 2VRQ XYP XYP AHR 8.13559
28 5NW7 9C2 9.49153
29 5FMD NYT 10.1695
30 1O98 2PG 11.1864
31 5X1M DHB 11.5254
32 4ZWP M44 12.8814
33 4KQ6 DLZ 16.7598
34 5M4Q PRO 17.9661
Pocket No.: 2; Query (leader) PDB : 1WKM; Ligand: MET; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 1wkm.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6ESN BWE 1.87266
2 5APK 76E 1.88679
3 4WPF 3SN 1.89394
4 5NTW 98N 1.94553
5 3E9I XAH 2.0339
6 1UR1 XYS XYP AHR 2.37288
7 2X2M X2M 2.37288
8 3RHJ NAP 2.71186
9 3WUG XYP 3.05085
10 2WC1 FMN 3.2967
11 5K9B FMN 3.33333
12 2A8Y MTA 3.7037
13 3ILR SGN IXD 3.72881
14 3ILR IXD 3.72881
15 3ILR SGN 3.72881
16 5F33 PGH 3.72881
17 5OD2 GLC 4.40678
18 1QY1 PRZ 4.5977
19 6D61 4AA 4.61538
20 1GQG DCD 5.42373
21 3AI7 TPP 6.44068
22 2AEL SAZ 6.44068
23 1K4M CIT 7.51174
24 5WZE PRO 20.678
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