MolNFT v1 · #88860 · protein

The structure of the catalytic domain of NCLPMO9C from the filamentous fungus neurospora crassa

4D7U · Endoglucanase II: “The structure of the catalytic domain of NCLPMO9C from the filamentous fungus neurospora crassa”. X-ray diffraction, 1 ligand (CU), 3 pockets (best druggability 0.54). MolNFT v1 #88860 on GenesisL1: 3D structure…

PDB: 4D7U
Type: protein
Length: 454 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoglucanase II
UniProt: Q7SHI8
Ligands: CU
Pockets: 3 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Endoglucanase II	protein	227	7% helix, 35% strand	Q7SHI8

Ligands and binding sites

CU · Copper (II) ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 5 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	264	0.54	0.76	31	empty
2	60	0.33	0.77	16	GOL
3	73	0.33	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 288 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4D7U · The structure of the catalytic domain of NcLPMO9C from the filamentous fungus Neurospora… · 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 Q7SHI8
Elsewhere: RCSB PDB 4D7U · PDBe 4D7U · UniProt Q7SHI8

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