MolNFT v1 · #107228 · protein

Crystal structure of COH3SCAB-XDOC_M1SCAA complex: a N-terminal interface mutant of type II cohesin-X-dockerin complex from acetivibrio cellulolyticus

4U3S · Cellulosomal scaffoldin adaptor protein B: “Crystal structure of COH3SCAB-XDOC_M1SCAA complex: a N-terminal interface mutant of type II…”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.29). MolNFT v1 #107228 on…

PDB: 4U3S
Type: protein
Length: 323 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellulosomal scaffoldin adaptor protein B; Cellulosomal scaffoldin
UniProt: Q7WYN3, Q9RPL0
Ligands: CA
Pockets: 1 · best druggability 0.29

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellulosomal scaffoldin adaptor protein B	protein	167	8% helix, 43% strand	Q7WYN3
B	Cellulosomal scaffoldin	protein	156	18% helix, 36% strand	Q9RPL0

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains B
NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	50	0.29	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 892 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

4U3S · Crystal structure of Coh3ScaB-XDoc_M1ScaA complex: A N-terminal interface mutant of type… · 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 Q7WYN3
Every structure of UniProt Q9RPL0
Elsewhere: RCSB PDB 4U3S · PDBe 4U3S · UniProt Q7WYN3 · UniProt Q9RPL0

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