MolNFT v1 · #128483 · protein

Crystal structure of the sixth cohesin from acetivibrio cellulolyticus' scaffoldin B in complex with CEL5 dockerin S51I, L52N mutant

5NRM · Endoglucanase: “Crystal structure of the sixth cohesin from acetivibrio cellulolyticus' scaffoldin B in complex with CEL5…”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.32). MolNFT v1 #128483 on GenesisL1: 3D…

PDB: 5NRM
Type: protein
Length: 207 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoglucanase; DOCCEL5: type I dockerin repeat domain from a. cellulolyticus family 5…
EC: 3.2.1.4
UniProt: Q9RPL0
Ligands: CA
Pockets: 1 · best druggability 0.32

Structure

x-ray diffraction · 2 distinct chains · 15% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endoglucanase (EC 3.2.1.4)	protein	141	3% helix, 57% strand	Q9RPL0
B	DOCCEL5: type I dockerin repeat domain from a. cellulolyticus family 5 endoglucanase WP_010249057 S51I, L52N mutant	protein	66	41% helix, 0% strand	—

Ligands and binding sites

CA · Calcium ion · metal · 3 copies · chains 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	66	0.32	0.76	19	empty

Interfaces

1 interface between chains.

A–B · 777 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

5NRM · Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in… · 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 Q9RPL0
Elsewhere: RCSB PDB 5NRM · PDBe 5NRM · UniProt Q9RPL0

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