Structure of PDB 2zr2 Chain B Binding Site BS01

Receptor Information
>2zr2 Chain B (length=447) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDIKLIRENPELVKNDLIKRGELEKVKWVDEILKLDTEWRTKLKEINRL
RHERNKIAVEIGKRRKKGEPVDELLAKSREIVKRIGELENEVEELKKKID
YYLWRLPNITHPSVPVGKDENDNVPIRFWGKARVWKGHLERFLEQSQGKM
EYEILEWKPKLHVDLLEILGGADFARAAKVSGSRFYYLLNEIVILDLALI
RFALDRLIEKGFTPVIPPYMVRRFVEEGSTSFEDFEDVIYKVEDEDLYLI
PTAEHPLAGMHANEILDGKDLPLLYVGVSPCFRKEAGTAGKDTKGIFRVH
QFHKVEQFVYSRPEESWEWHEKIIRNAEELFQELEIPYRVVNICTGDLGY
VAAKKYDIEAWMPGQGKFREVVSASNCTDWQARRLNIRFRDRTDEKPRYV
HTLNSTAIATSRAIVAILENHQEEDGTVRIPKVLWKYTGFKEIVPVE
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 chain2zr2 Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zr2 Crystallographic and mutational studies of seryl-tRNA synthetase from the archaeon Pyrococcus horikoshii.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R283 E285 F297 R298 V299 F302 E370 V371 A409 S411 R412
Binding residue
(residue number reindexed from 1)		R283 E285 F297 R298 V299 F302 E370 V371 A409 S411 R412
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R283 R298 E370 S373 R412
Catalytic site (residue number reindexed from 1) R283 R298 E370 S373 R412
Enzyme Commision number 6.1.1.11: serine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004828 serine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006434 seryl-tRNA aminoacylation
GO:0016260 selenocysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2zr2, PDBe:2zr2, PDBj:2zr2
PDBsum2zr2
PubMed18818520
UniProtO58441|SYS_PYRHO Serine--tRNA ligase (Gene Name=serS)

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