Structure of PDB 1z6d Chain B Binding Site BS01
Receptor Information
>1z6d Chain B (length=124) Species:
9913
(Bos taurus) [
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KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHES
LADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTT
QANKHIIVACEGNPYVPVHFDASV
Ligand information
Ligand ID
IMP
InChI
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
GRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.5
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
ACDLabs 10.04
O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.7.5
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
CACTVS 3.385
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
Formula
C10 H13 N4 O8 P
Name
INOSINIC ACID
ChEMBL
CHEMBL1207374
DrugBank
DB04566
ZINC
ZINC000004228242
PDB chain
1z6d Chain B Residue 1920 [
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Receptor-Ligand Complex Structure
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PDB
1z6d
The binding of IMP to Ribonuclease A
Resolution
1.54 Å
Binding residue
(original residue number in PDB)
H12 V43 N44 T45 R85 F120 A122 S123
Binding residue
(residue number reindexed from 1)
H12 V43 N44 T45 R85 F120 A122 S123
Annotation score
4
Binding affinity
MOAD
: Ki=4.6mM
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:0005515
protein binding
GO:0016829
lyase activity
Biological Process
GO:0050830
defense response to Gram-positive bacterium
Cellular Component
GO:0005576
extracellular region
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1z6d
,
PDBe:1z6d
,
PDBj:1z6d
PDBsum
1z6d
PubMed
16045769
UniProt
P61823
|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)
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