Structure of PDB 1um5 Chain H Binding Site BS01

Receptor Information

>1um5 Chain H (length=217) Species: 10090 (Mus musculus)

VQLQQSGPVLVKPGGSVKMSCKASEYTLTSYLFQWVKQKSGQGLEWIGYI
YPYNGGTRYNEKFRGKATLTSDKSSNTAYLELSSLTSEDSAVYYCARSSM
SDPGANWGPGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYF
PEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYIC
NVNHKPSNTKVDKKVEP

Ligand information

• Ligand ID: SS1
• InChI: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
• InChIKey: WAPNOHKVXSQRPX-ZETCQYMHSA-N
• SMILES:
  OpenEye OEToolkits 1.7.5: C[C@@H](c1ccccc1)O
  CACTVS 3.385: C[CH](O)c1ccccc1
  OpenEye OEToolkits 1.7.5: CC(c1ccccc1)O
  ACDLabs 10.04: OC(c1ccccc1)C
  CACTVS 3.385: C[C@H](O)c1ccccc1
• Formula: C8 H10 O
• Name: 1-PHENYLETHANOL;
  (1S)-1-PHENYL-ETHANOL
• ChEMBL: CHEMBL348446
• ZINC: ZINC000000896625
• PDB chain: 1um5 Chain H Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1um5 Structural Studies of an Efficient Catalytic Antibody Operating by Ping-Pong and Induced Fit Mechanisms
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): Q36 V38 A98 W109
• Binding residue (residue number reindexed from 1): Q34 V36 A96 W107
• Annotation score: 1

External links

• PDB: RCSB:1um5, PDBe:1um5, PDBj:1um5
• PDBsum: 1um5
• UniProt: Q6PYX1