-->
Receptor
PDB id Resolution Class Description Source Keywords
3IR1 2.15 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LIPOPROTEIN GNA1946 FROM NEISSERIA MENI NEISSERIA MENINGITIDIS GNA1946 D-METHIONINE CULTURED LIPOPROTEIN PROTEIN BINDING
Ref.: CRYSTAL STRUCTURE OF LIPOPROTEIN GNA1946 FROM NEISS MENINGITIDIS J.STRUCT.BIOL. V. 168 437 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET A:600;
B:500;
C:400;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
SO4 A:15;
A:16;
B:18;
B:19;
B:3;
C:13;
C:2;
C:20;
C:22;
C:5;
D:11;
D:12;
D:21;
E:17;
E:4;
E:6;
E:7;
F:1;
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...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IR1 2.15 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LIPOPROTEIN GNA1946 FROM NEISSERIA MENI NEISSERIA MENINGITIDIS GNA1946 D-METHIONINE CULTURED LIPOPROTEIN PROTEIN BINDING
Ref.: CRYSTAL STRUCTURE OF LIPOPROTEIN GNA1946 FROM NEISS MENINGITIDIS J.STRUCT.BIOL. V. 168 437 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3IR1 - MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3GXA - MET C5 H11 N O2 S CSCC[C@@H]....
2 3IR1 - MET C5 H11 N O2 S CSCC[C@@H]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1XS5 - MET C5 H11 N O2 S CSCC[C@@H]....
2 3IR1 - 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 : 3IR1; Ligand: MET; Similar sites found with APoc: 25
This union binding pocket(no: 1) in the query (biounit: 3ir1.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4BUY F37 1.66667
2 5TG5 JW8 2.04082
3 3B6R CRN 2.44898
4 1U8V FAD 2.44898
5 1U6R IOM 2.44898
6 1GZ4 ATP 2.44898
7 1GQ2 NAP 2.44898
8 5OYH T99 2.59067
9 6A6A DAL 3.11111
10 3H7U NAP 3.26531
11 5K9B FMN 3.33333
12 3KRB NAP 4.4898
13 3O3R NAP 4.89796
14 2WKV COA 5.30612
15 3CV2 OXL 5.71429
16 5LE1 6UW 6.12245
17 1WVC CTP 6.53061
18 4UBT 3G6 6.93878
19 2NXW TPP 7.7551
20 1S7G APR 8.57143
21 5FMD NYT 9.38776
22 5H62 UDP 10.6122
23 1VRP IOM 11.0204
24 1XKQ NDP 12.2449
25 3KO8 NAD 12.6531
Pocket No.: 2; Query (leader) PDB : 3IR1; Ligand: MET; Similar sites found with APoc: 17
This union binding pocket(no: 2) in the query (biounit: 3ir1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1NHX FTB 2.04082
2 1NHX PEP 2.04082
3 6BQC LOP 2.04082
4 5LNQ CAA 2.44898
5 1ZPD DPX 2.44898
6 6H1U ASP 2.44898
7 6HOY AR6 2.85714
8 3A4V NAD 4.4898
9 3A4V PYR 4.4898
10 3S1S SAH 4.89796
11 2UZ1 TPP 4.89796
12 4GJ3 0XP 5.30612
13 5TZJ UD1 5.30612
14 2IV2 2MD 5.71429
15 5YJF 8WO 6.12245
16 6AMI TRP 15.5102
17 5ODQ FAD 22.8571
Pocket No.: 3; Query (leader) PDB : 3IR1; Ligand: MET; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 3ir1.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1TD2 PXL 1.63265
2 2I3G NAP 4.4898
3 1QZR ANP 4.89796
4 4UP4 GAL NAG 6.12245
5 1QMG APX 6.53061
6 1RDL MMA 9.73451
APoc FAQ
Feedback