Structure of PDB 1jp4 Chain A Binding Site BS04

Receptor Information
>1jp4 Chain A (length=302) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HNVLMRLVASAYSIAQKAGTIVRCVIAEGDLGIVQKTSATDLQTKADRMV
QMSICSSLSRKFPKLTIIGEEDLPEVDQELIEDGQSEEILKQPCPSQYSA
IKEEDLVVWVDPVDGTKEYTEGLLDNVTVLIGIAYEGKAIAGIINQPYYN
YQAGPDAVLGRTIWGVLGLGAFGFQLKEAPAGKHIITTTRSHSNKLVTDC
IAAMNPDNVLRVGGAGNKIIQLIEGKASAYVFASPGCKKWDTCAPEVILH
AVGGKLTDIHGNPLQYDKEVKHMNSAGVLAALRNYEYYASRVPESVKSAL
IP
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1jp4 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1jp4 Crystal structure of an enzyme displaying both inositol-polyphosphate-1-phosphatase and 3'-phosphoadenosine-5'-phosphate phosphatase activities: a novel target of lithium therapy.
Resolution1.69 Å
Binding residue
(original residue number in PDB)		D120 T195 H198 G219 G220 K224 F238 G242 C243 D247
Binding residue
(residue number reindexed from 1)		D114 T189 H192 G213 G214 K218 F232 G236 C237 D241
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D51 E74 D117 V119 D120 T122 D247
Catalytic site (residue number reindexed from 1) D47 E70 D111 V113 D114 T116 D241
Enzyme Commision number 3.1.3.57: inositol-1,4-bisphosphate 1-phosphatase.
3.1.3.7: 3'(2'),5'-bisphosphate nucleotidase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004441 inositol-1,4-bisphosphate 1-phosphatase activity
GO:0008441 3'(2'),5'-bisphosphate nucleotidase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0008150 biological_process
GO:0046854 phosphatidylinositol phosphate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1jp4, PDBe:1jp4, PDBj:1jp4
PDBsum1jp4
PubMed11812139
UniProtQ9Z1N4|BPNT1_RAT 3'(2'),5'-bisphosphate nucleotidase 1 (Gene Name=Bpnt1)

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