MolNFT v1 · #108122 · protein

Structure of a clostridium difficile sortase

4UX7 · Putative peptidase C60B, sortase B: “Structure of a clostridium difficile sortase”. X-ray diffraction, 7 pockets (best druggability 0.58). MolNFT v1 #108122 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4UX7
Type: protein
Length: 408 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative peptidase C60B, sortase B
EC: 3.4.22.71
UniProt: Q183F3
Pockets: 7 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative peptidase C60B, sortase B (EC 3.4.22.71)	protein	204	25% helix, 28% strand	Q183F3

Ligands and binding sites

PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
1PE · Pentaethylene glycol · additive · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	59	0.58	0.90	19	empty
2	193	0.52	0.78	29	PEG
3	53	0.52	0.88	21	empty
4	98	0.51	0.82	16	empty
5	94	0.46	0.80	18	PEG

Interfaces

1 interface between chains.

A–B · 1442 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

4UX7 · Structure of a Clostridium difficile sortase · 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 Q183F3
Elsewhere: RCSB PDB 4UX7 · PDBe 4UX7 · UniProt Q183F3

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