Structure of PDB 7ypm Chain A Binding Site BS02

Receptor Information

>7ypm Chain A (length=454) Species: 357400 (Caulobacter sp. D5)

HDIAELKRLDLAHHLPAQADHKVIAEQGGSRIITRAEGVYIHDGEGHQIL
DGMAGLWCVNVGYGREELAKAAYDQMLELPYYNTFFKTATPPPIELAAKI
AQKMGGHLSHVFYNSSGSEANDTVFRLVRHFWKLKGEPSRTVFISRWNAY
HGSTVAGVSLGGMKHMHKQGDLPIAGVEHVMQPYQFGDGFGEDPAAFRDR
AVQAIEDKILEVGPENVAAFIGEPVQGAGGVIIPPDGYWPAVEALCRKYG
ILLVCDEVICGFGRLGQWFGHQHYGIKPDLIAMAKGLSSGYLPISAVGVA
DHIVAELREKGGDFIHGFTYSGHPTAAAVALKNIEIMEREGLVERTRDET
GPYLAQALASLNDHPLVGEVRSLGLIGAVEIVREKGTNHRFLDKEGEAGP
IVRDLCIKNGLMVRAIRDSIVCCPPLIITKAQIDELVGIIRKSLDEAEPV
LRAL

Ligand information

• Ligand ID: ALA
• InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
• InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C(=O)O)N
  CACTVS 3.341: C[CH](N)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)C
  CACTVS 3.341: C[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: C[C@@H](C(=O)O)N
• Formula: C3 H7 N O2
• Name: ALANINE
• ChEMBL: CHEMBL279597
• DrugBank: DB00160
• ZINC: ZINC000004658553
• PDB chain: 7ypm Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ypm Mechanism-Guided Computational Design of omega-Transaminase by Reprograming of High-Energy-Barrier Steps.
• Resolution: 1.984 Å
• Binding residue (original residue number in PDB): W64 Y157
• Binding residue (residue number reindexed from 1): W57 Y150
• Annotation score: 4

Gene Ontology

Molecular Function

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

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:7ypm, PDBe:7ypm, PDBj:7ypm
• PDBsum: 7ypm
• PubMed: 36300723
• UniProt: A0A318BC23