Structure of PDB 4ga6 Chain B Binding Site BS01

Receptor Information
>4ga6 Chain B (length=493) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAKIRILDMFSGRYTVLINEEDAKEAKLHPDDLVKIEAGKKAVYGSVAL
SNLVGKGEVGISRDVLDLHNFSEGETVSVIPAGTPESVRYIKKKMHGEKL
RKVEIEAIVRDIVDRKLRDIEISSFVTALEINGLDMDEIAALTIAMAETG
DMLDIDRKPIMDVHSIGGVPGNKTNILVVPIVAAAGLTIPKTSSRAITSA
AGTADVVEVFADVSFSLDEIKRIVEKVGACLVWGGALNLAPADDITIKAE
RALSIDPTGLMLASIMSKKYAMGSQYVLIDIPTGKGVKVETVEEARSLAR
DFIELGKRLGQYVEVAITYGGQPIGHTVGPALEAREALSALMTGKGPGSL
IEKATGLAGILLEMGGVAPAGTGKKMAKEILESGKAWEKMKEIIEAQGGD
PNIKPEEIPIGDKTYTFTAATSGYVTAIDNRAITAIARAAGAPEDKGAGI
ELYVKVGEKVKEGDPLFTIHAEHEARLDQAIVLARRTEPIRIE
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 chain4ga6 Chain B 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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PDB4ga6 Structure analysis of archaeal AMP phosphorylase reveals two unique modes of dimerization
Resolution2.21 Å
Binding residue
(original residue number in PDB)		H164 S165 I166 S194 A196 I197 T198 S199 T203 D256 M261 S264 K288
Binding residue
(residue number reindexed from 1)		H164 S165 I166 S194 A196 I197 T198 S199 T203 D256 M261 S264 K288
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D162 V163 H164 S165 T203 D243 A249 S264 K268 K269
Catalytic site (residue number reindexed from 1) D162 V163 H164 S165 T203 D243 A249 S264 K268 K269
Enzyme Commision number 2.4.2.57: AMP phosphorylase.
Gene Ontology
Molecular Function
GO:0004645 1,4-alpha-oligoglucan phosphorylase activity
GO:0016208 AMP binding
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0042301 phosphate ion binding
Biological Process
GO:0006196 AMP catabolic process
GO:0006206 pyrimidine nucleobase metabolic process
GO:0006213 pyrimidine nucleoside metabolic process
GO:0046125 pyrimidine deoxyribonucleoside metabolic process
Cellular Component
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:4ga6, PDBe:4ga6, PDBj:4ga6
PDBsum4ga6
PubMed23659790
UniProtQ5JCX3|AMPPA_THEKO AMP phosphorylase (Gene Name=deoA)

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