MolNFT v1 · #56428 · protein

Family 16 carbohydrate binding module-2

2ZEZ · S-layer associated multidomain endoglucanase: “Family 16 carbohydrate binding module-2”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.45). MolNFT v1 #56428 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2ZEZ
Type: protein
Length: 568 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S-layer associated multidomain endoglucanase
UniProt: Q9ZA17
Ligands: CA
Pockets: 2 · best druggability 0.45

Structure

x-ray diffraction · 3 distinct chains · 2% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	S-layer associated multidomain endoglucanase	protein	142	2% helix, 46% strand	Q9ZA17
B	S-layer associated multidomain endoglucanase	protein	141	2% helix, 47% strand	Q9ZA17
C	S-layer associated multidomain endoglucanase	protein	143	2% helix, 45% strand	Q9ZA17

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A, B, C, D

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	189	0.45	0.74	27	empty
2	57	0.40	0.81	16	empty

Interfaces

3 interfaces between chains.

A–B · 428 Å² buried · 6 hydrogen bonds · protein-protein
C–D · 217 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 111 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2ZEZ · Family 16 Carbohydrate Binding Module-2 · 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 Q9ZA17
Elsewhere: RCSB PDB 2ZEZ · PDBe 2ZEZ · UniProt Q9ZA17

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