Structure of PDB 2c4m Chain A Binding Site BS01

Receptor Information
>2c4m Chain A (length=788) Species: 1721 (Corynebacterium callunae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPLPAALVGSHVRAAAGTPADLATDRKFWTGLSRAVQERIADDWERTREA
YGAARQQHYFSAEFLMGRALLNNLTNLGLVDEAAAATRELGHELTDILEI
ENDAALGNGGLGRLAACFLDSAVTQDYPVTGYGLLYRFGLFRQSFNEGFQ
VEKPDPWREEEYPFTIRRASDQLVVCFDDMKTRAIPYDMPITGYGTHNVG
TLRLWKAEPWEEFDYDAFNAQRFTDAIIERERVSDICRVLYPNDTTYEGK
KLRVRQQYFFTSASLQAMIQDHLAHHKDLSNFAEFHSVQLNDTHPVLAIP
ELMRLLMDEHDMGWEESWAIVSKTFAYTNHTVLTEALEQWDEQIFQQLFW
RVWEIIAEIDRRFRLERAADGLDEETINRMAPIQHGTVHMAWIACYAAYS
INGVAALHTEIIKAETLADWYALWPEKFNNKTNGVTPRRWLRMINPGLSD
LLTRLSGSDDWVTDLDELKKLRSYADDKSVLEELRAIKAANKQDFAEWIL
ERQGIEIDPESIFDVQIKRLHEYKRQLMNALYVLDLYFRIKEDGLTDIPA
RTVIFGAKAAPGYVRAKAIIKLINSIADLVNNDPEVSPLLKVVFVENYNV
SPAEHILPASDVSEQISTAGKEASGTSNMKFMMNGALTLGTMDGANVEIV
DSVGEENAYIFGARVEELPALRESYKPYELYETVPGLKRALDALDNGTLN
DNNSGLFYDLKHSLIHGYGKDASDTYYVLGDFADYRETRDRMAADYASDP
LGWARMAWINICESGRFSSDRTIRDYATEIWKLEPTPA
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 chain2c4m Chain A Residue 1634 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2c4m Starch Phosphorylase: Structural Studies Explain Oxyanion-Dependent Kinetic Stability and Regulatory Control
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L69 W444 K522 Y602 N603 V604 T630 S631 K634
Binding residue
(residue number reindexed from 1)		L65 W440 K518 Y598 N599 V600 T626 S627 K630
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H334 K522 R523 K528 T630 K634
Catalytic site (residue number reindexed from 1) H330 K518 R519 K524 T626 K630
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:2c4m, PDBe:2c4m, PDBj:2c4m
PDBsum2c4m
PubMed
UniProtQ8KQ56

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