Structure of PDB 6snu Chain B Binding Site BS01

Receptor Information

>6snu Chain B (length=453) Species: 536 (Chromobacterium violaceum)

RTTSQWRELDAAHHLHPFTDTASLNQAGARVMTRGEGVYLWDSEGNKIID
GMAGLCCVNVGYGRKDFAEAARRQMEELPFYNTFFKTTHPAVVELSSLLA
EVTPAGFDRVFYTNSGSESVDTMIRMVRRYWDVQGKPEKKTLIGRWNGYH
GSTIGGASLGGMKYMHEQGDLPIPGMAHIEQPWWYKHGKDMTPDEFGVVA
ARWLEEKILEIGADKVAAFVGEPIQGAGGVIVPPATYWPEIERICRKYDV
LLVADEVICGFGRTGEWFGHQHFGFQPDLFTAAKGLSSGYLPIGAVFVGK
RVAEGLIAGGDFNHGFTYSGHPVCAAVAHANVAALRDEGIVQRVKDDIGP
YMQKRWRETFSRFEHVDDVRGVGMVQAFTLVKNKAKRELFPDFGEIGTLC
RDIFFRNNLIMRACGDHIVSAPPLVMTRAEVDEMLAVAERCLEEFEQTLK
ARG

Ligand information

• Ligand ID: PLP
• InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
• InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1C=O)C
• Formula: C8 H10 N O6 P
• Name: PYRIDOXAL-5'-PHOSPHATE;
  VITAMIN B6 Phosphate
• ChEMBL: CHEMBL82202
• DrugBank: DB00114
• ZINC: ZINC000001532514
• PDB chain: 6snu Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6snu Crystal Structures Combined with Molecular Dynamics Reveal Altered Flow of Water in the Active Site of W60C Chromobacterium violaceum omega-transaminase
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): F320 T321
• Binding residue (residue number reindexed from 1): F316 T317
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): F22 Y153 D259 K288
• Catalytic site (residue number reindexed from 1): F18 Y149 D255 K284
• Enzyme Commision number: 2.6.1.-

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:6snu, PDBe:6snu, PDBj:6snu
• PDBsum: 6snu
• UniProt: A0A1R0MXM9