MolNFT v1 · #158673 · protein

E. COLI cysteine desulfurase sufs H123A with a cys-ketimine intermediate

6O13: “E. COLI cysteine desulfurase sufs H123A with a cys-ketimine intermediate”. X-ray diffraction, 2 ligands (CKT, CL), 2 pockets (best druggability 0.57). MolNFT v1 #158673 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6O13
Type: protein
Length: 405 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cysteine desulfurase
EC: 2.8.1.7, 4.4.1.16
UniProt: P77444
Ligands: CKT, CL
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cysteine desulfurase (EC 2.8.1.7, 4.4.1.16)	protein	405	44% helix, 19% strand	P77444

Ligands and binding sites

CKT · Cys-ketimine · ligand · chains A
CL · Chloride ion · ion · chains A

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

Pockets

2 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	139	0.57	0.83	27	empty
2	145	0.50	0.79	25	CKT

Compared structures

6O13 · E. coli cysteine desulfurase SufS H123A with a Cys-ketimine intermediate · the same entry in another collection · chain A against A, TM-score 1.00
P77444 · AlphaFold monomer V2.0 prediction for cysteine desulfurase (P77444) · a predicted model of the same protein · 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 P77444
Elsewhere: RCSB PDB 6O13 · PDBe 6O13 · UniProt P77444

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