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Structure of PDB 11ba Chain A Binding Site BS01

Receptor Information

>11ba Chain A (length=124) Species: 9913 (Bos taurus)

KESAAAKFERQHMDSGNSPSSSSNYCNLMMCCRKMTQGKCKPVNTFVHES
LADVKAVCSQKKVTCKNGQTNCYQSKSTMRITDCRETGSSKYPNCAYKTT
QVEKHIIVACGGKPSVPVHFDASV

Ligand information

• Ligand ID: UPA
• InChI: InChI=1S/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)17-13(31)11(29)8(37-17)4-35-39(33,34)38-14-12(30)7(3-27)36-18(14)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
• InChIKey: QARCCHXXGAIRFS-KPKSGTNCSA-N
• SMILES:
  ACDLabs 10.04: O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[C@@H]4[C@H](O)[C@@H](CO)O[C@H]4N5C=CC(=O)NC5=O)[C@@H](O)[C@H]3O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=O)NC5=O)CO)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[CH]4N5C=CC(=O)NC5=O)[CH](O)[CH]3O
• Formula: C19 H24 N7 O12 P
• Name: URIDYLYL-2'-5'-PHOSPHO-ADENOSINE
• DrugBank: DB03447
• ZINC: ZINC000015268260
• PDB chain: 11ba Chain A Residue 125

Receptor-Ligand Complex Structure

Structure summary

• PDB: 11ba Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2',5')adenosine.
• Resolution: 2.06 Å
• Binding residue (original residue number in PDB): K41 V43 N44 T45 N67 Q69 N71 A109 H119 F120
• Binding residue (residue number reindexed from 1): K41 V43 N44 T45 N67 Q69 N71 A109 H119 F120
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H12 K41 H119 F120 D121
• Catalytic site (residue number reindexed from 1): H12 K41 H119 F120 D121
• Enzyme Commision number: 4.6.1.18: pancreatic ribonuclease.

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding
• GO:0004519 endonuclease activity
• GO:0004522 ribonuclease A activity
• GO:0004540 RNA nuclease activity
• GO:0016829 lyase activity
• GO:0042802 identical protein binding

Biological Process

• GO:0050830 defense response to Gram-positive bacterium
• GO:0051607 defense response to virus

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:11ba, PDBe:11ba, PDBj:11ba
• PDBsum: 11ba
• PubMed: 10082366
• UniProt: P00669|RNS_BOVIN Seminal ribonuclease (Gene Name=SRN)

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