MolNFT v1 · #174184 · protein

Complex structure of SH3B domain with 2-hydroxybenzoic acid

7BNI · Lysostaphin: “Complex structure of SH3B domain with 2-hydroxybenzoic acid”. X-ray diffraction, 2 ligands (SAL, SO4), 1 pocket (best druggability 0.59). MolNFT v1 #174184 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7BNI
Type: protein
Length: 192 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lysostaphin
EC: 3.4.24.75
UniProt: A0A133QQ41
Ligands: SAL, SO4
Pockets: 1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Lysostaphin (EC 3.4.24.75)	protein	96	0% helix, 57% strand	A0A133QQ41

Ligands and binding sites

SAL · 2-hydroxybenzoic acid · ligand · 4 copies · chains A, B
SO4 · Sulfate ion · ion · 3 copies · chains A, B
GOL · Glycerol · additive · 3 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	205	0.59	0.80	23	SAL, GOL

Interfaces

1 interface between chains.

A–B · 378 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

7BNI · Complex structure of SH3b domain with 2-hydroxybenzoic acid · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt A0A133QQ41
Elsewhere: RCSB PDB 7BNI · PDBe 7BNI · UniProt A0A133QQ41

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