Structure of PDB 1nl2 Chain A Binding Site BS07

Receptor Information

>1nl2 Chain A (length=146) Species: 9913 (Bos taurus)

ANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSATDAFWAKYTACES
ARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEI
NSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRREECSVPVCGQ

Ligand information

• Ligand ID: LPS
• InChI: InChI=1S/C21H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)29-15-18(23)16-30-32(27,28)31-17-19(22)21(25)26/h18-20,23-24H,2-17,22H2,1H3,(H,25,26)(H,27,28)/t18-,19+,20-/m1/s1
• InChIKey: RPZLJDFLPRHXGM-HSALFYBXSA-N
• SMILES:
  CACTVS 3.341: CCCCCCCCCCCCCC[CH](O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O
  CACTVS 3.341: CCCCCCCCCCCCCC[C@H](O)OC[C@@H](O)CO[P@@](O)(=O)OC[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CCCCCCCCCCCCCCC(O)OCC(COP(=O)(O)OCC(C(=O)O)N)O
  ACDLabs 10.04: O=C(O)C(N)COP(=O)(OCC(O)COC(O)CCCCCCCCCCCCCC)O
  OpenEye OEToolkits 1.5.0: CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O
• Formula: C21 H44 N O9 P
• Name: O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)-1-HYDROXYPENTADECYL]OXY}PROPYL)OXY]PHOSPHORYL}-L-SERINE;
  LYSOPHOSPHOTIDYLSERINE
• DrugBank: DB04136
• ZINC: ZINC000038377594
• PDB chain: 1nl2 Chain A Residue 451

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1nl2 Structural basis of membrane binding by Gla domains of vitamin K-dependent proteins.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): K3 F5 L6 E7 R10 R16 E21
• Binding residue (residue number reindexed from 1): K3 F5 L6 E7 R10 R16 E21
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.21.5: thrombin.

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1nl2, PDBe:1nl2, PDBj:1nl2
• PDBsum: 1nl2
• PubMed: 12923575
• UniProt: P00735|THRB_BOVIN Prothrombin (Gene Name=F2)