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Crystal structure of putative short chain dehydrogenase from escherichia COLI CFT073 complexed with NADPH

Analyse Crystal structure of putative short chain dehydrogenase from escherichia COLI… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3GZ4
Type: protein
Length: 482 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical oxidoreductase ycik
EC: 1.-.-.-
UniProt: Q8FHV3
Ligands: NDP
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hypothetical oxidoreductase ycik (EC 1.-.-.-)	protein	242	47% helix, 14% strand	Q8FHV3
B	Hypothetical oxidoreductase ycik (EC 1.-.-.-)	protein	240	47% helix, 15% strand	Q8FHV3

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	400	0.74	0.84	45	NDP
2	396	0.74	0.84	42	NDP

Interfaces

1 interface between chains.

A–B · 1563 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

3GZ4 · Crystal structure of putative short chain dehydrogenase FROM ESCHERICHIA COLI CFT073… · 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 Q8FHV3
Elsewhere: RCSB PDB 3GZ4 · PDBe 3GZ4 · UniProt Q8FHV3

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