MolNFT v1 · #57683 · protein

Crystal structures of catalytic site mutants of active domain 2 of chitinase from pyrococcus furiosus

3AFB · Putative chitinase: “Crystal structures of catalytic site mutants of active domain 2 of chitinase from pyrococcus furiosus”. X-ray diffraction, 2 ligands (MG, SO4), 3 pockets (best druggability 0.79). MolNFT v1 #57683 on GenesisL1…

PDB: 3AFB
Type: protein
Length: 600 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative chitinase
EC: 3.2.1.14
UniProt: Q8U1H5
Ligands: MG, SO4
Pockets: 3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative chitinase (EC 3.2.1.14)	protein	300	40% helix, 21% strand	Q8U1H5

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B
SO4 · Sulfate ion · ion · chains B
GOL · Glycerol · additive · 4 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	1141	0.79	0.80	92	GOL
2	79	0.40	0.78	20	empty
3	80	0.39	0.78	18	empty

Interfaces

1 interface between chains.

A–B · 502 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3AFB · Crystal structures of catalytic site mutants of active domain 2 of chitinase from… · 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 Q8U1H5
Elsewhere: RCSB PDB 3AFB · PDBe 3AFB · UniProt Q8U1H5

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