MolNFT v1 · #82617 · protein

Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant staphylococcus aureus in the apo form.

3VSK: “Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant staphylococcus aureus in…”. X-ray diffraction, 13 pockets (best druggability 0.77). MolNFT v1 #82617 on GenesisL1: 3D structure, binding sites and…

PDB: 3VSK
Type: protein
Length: 1,262 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Penicillin-binding protein 3
UniProt: Q8NWC2
Pockets: 13 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Penicillin-binding protein 3	protein	631	33% helix, 22% strand	Q8NWC2
B	Penicillin-binding protein 3	protein	631	32% helix, 21% strand	Q8NWC2

Pockets

13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	658	0.77	0.83	51	empty
2	1066	0.76	0.79	67	empty
3	694	0.76	0.81	52	empty
4	863	0.75	0.79	98	empty
5	226	0.63	0.82	37	empty

Interfaces

1 interface between chains.

A–B · 2365 Å² buried · 22 hydrogen bonds · protein-protein

Compared structures

3VSK · Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant… · 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 Q8NWC2
Elsewhere: RCSB PDB 3VSK · PDBe 3VSK · UniProt Q8NWC2

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