Structure of PDB 7tm7 Chain A Binding Site BS01

Receptor Information
>7tm7 Chain A (length=802) Species: 1125630 (Klebsiella pneumoniae subsp. pneumoniae HS11286) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHHMSQTTFNKAQFQAALTRQWQHFGLQSASEMTQRQWWRAVSGALA
ELLAAQPVAKPAQGQRHVNYISMEFLIGRLTGNNLLNLGWYEGVSDALKG
YDVNLTDLLEEETDPALGNGGLGRLAACFLDSMATVGQSATGYGLNYQYG
LFRQSFDDGQQMEAPDDWGRSSYPWFRHNEALDVQVGIGGKVSKNGEWQP
AFVITGEAWDLPVLGYRNNVAQPLRLWQAKHAHPFNLTKFNDGDFLRAEQ
QGIDAEKLTKVLYPNDNHQAGKKLRLMQQYFQCACSVADILRRHHLAGRK
LAELADYEVIQLNDTHPTIAIPELLRVLIDEHQLSWDDAWAITSKTFAYT
NHTLMPEALECWDEKLVKALLPRHMQIIKEINDRFKQLVDKTWPGDKQVW
AKLAVVHDKQVRMANMCVVGGFAVNGVAALHSDLVVKDLFPEYNQLWPNK
FHNVTNGITPRRWIKQCNPALASLLDETLKKEWANDLDQLINLEKYADDA
AFRQTYRDIKQANKVHLAEFVKQRTGIEINPQAIFDIQIKRLHEYKRQHL
NLLHILALYKEIRENPQSDRVPRVFLFGAKAAPGYYLAKNIIFAINKVAE
AINNDPKVGDKLKVVFLPDYCVSAAEKLIPAADISEQISTAGKEASGTGN
MKLALNGALTVGTLDGANVEIAEQVGEENIFIFGHTVEEVKALKAKGYDP
LKWRKKDKLLDAVLKELENGTYSNGDKHAFDQMLHSLLQGGDPYLVLADF
EAYVAAQKRVDELYRDEEAWTRAAILNTARCGMFSSDRSIRDYQQRIWQA
KR
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain7tm7 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tm7 Crystal structure of Alpha-1,4 glucan phosphorylase from Klebsiella pneumoniae
Resolution1.91 Å
Binding residue
(original residue number in PDB)		L70 W457 K534 Y614 V616 T642 G643 K646
Binding residue
(residue number reindexed from 1)		L76 W463 K540 Y620 V622 T648 G649 K652
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.1: glycogen phosphorylase.
Gene Ontology
Molecular Function
GO:0004645 1,4-alpha-oligoglucan phosphorylase activity
GO:0008184 glycogen phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005980 glycogen catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7tm7, PDBe:7tm7, PDBj:7tm7
PDBsum7tm7
PubMed
UniProtA0A0H3GYH4

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