Structure of PDB 6ld8 Chain A Binding Site BS04

Receptor Information

>6ld8 Chain A (length=388) Species: 291331 (Xanthomonas oryzae pv. oryzae KACC 10331)

TPCTAATAAVRAGIDRDTAYGAVTPPIVLSSNFSFDGFGNKRQYDYTRSG
NPTRDLLGEALAELEGGAGGVITSTGMGAINLVLNAVLQPGDTLVVPHDA
YGGSWRLFNALAKKGHFALITADLTVPRSLADALAQSPKLVLIETPSNPL
LRITDLRFVIEAAKKVGALTVVDNTFLSPALQKPLDFGADLVLHSTTKYI
NGHSDVVGGAVVARDAELHQQLVWWANALGLTGSPFDAFLTLRGLRTLDA
RLRVHQENADAIAELLDGHAMVNQVYFPGLATHPGHALAARQQKGFGAMM
SFELEGGEAAVRAFVDGLRYFTLAESLGGVESLIAHPASMTHAAMTAEAR
AAAGISDGLLRLSIGIESAEDLLIDLRAGLSRAEATLT

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: 6ld8 Chain D Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ld8 Crystal structure of cystathionine gamma synthase from Xanthomonas oryzae pv. oryzae in complex with aminoacrylate and cysteine
• Resolution: 2.31 Å
• Binding residue (original residue number in PDB): Y54 R56 S57
• Binding residue (residue number reindexed from 1): Y46 R48 S49
• Annotation score: 5

Gene Ontology

Molecular Function

• GO:0003962 cystathionine gamma-synthase activity
• GO:0016846 carbon-sulfur lyase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0019346 transsulfuration

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6ld8, PDBe:6ld8, PDBj:6ld8
• PDBsum: 6ld8
• UniProt: Q5H1U9