Structure of PDB 1ecx Chain A Binding Site BS02

Receptor Information

>1ecx Chain A (length=364) Species: 2336 (Thermotoga maritima)

MRVYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAR
EKVAKVLGVSPSEIFFTSCATESINWILKTVAETFEKRKRTIITTPIEHK
AVLETMKYLSMKGFKVKYVPVDSRGVVKLEELEKLVDEDTFLVSIMAANN
EVGTIQPVEDVTRIVKKKNKETLVHVDAVQTIGKIPFSLEKLEVDYASFS
AHKFHGPKGVGITYIRKGVPIRPLIHGGGQERGLRSGTQNVPGIVGAARA
MEIAVEELSEAAKHMEKLRSKLVSGLMNLGAHIITPLEISLPNTLSVSFP
NIRGSTLQNLLSGYGIYVSTHVLDAMGVDRRIAQGAIRISLCKYNTEEEV
DYFLKKIEEILSFL

Ligand information

• Ligand ID: CYS
• InChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
• InChIKey: XUJNEKJLAYXESH-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CS)C(O)=O
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)S
  CACTVS 3.341: N[C@@H](CS)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CS
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)S
• Formula: C3 H7 N O2 S
• Name: CYSTEINE
• ChEMBL: CHEMBL863
• DrugBank: DB00151
• ZINC: ZINC000000895042
• PDB chain: 1ecx Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ecx Crystal structure of a NifS-like protein from Thermotoga maritima: implications for iron sulphur cluster assembly.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): H99 N150 R350
• Binding residue (residue number reindexed from 1): H99 N150 R338
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): H99 D177 V179 Q180 H202 K203
• Catalytic site (residue number reindexed from 1): H99 D177 V179 Q180 H202 K203
• Enzyme Commision number: 2.8.1.7: cysteine desulfurase.

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity

Biological Process

• GO:0009399 nitrogen fixation

External links

• PDB: RCSB:1ecx, PDBe:1ecx, PDBj:1ecx
• PDBsum: 1ecx
• PubMed: 10715213
• UniProt: Q9X218