Structure of PDB 6apl Chain B Binding Site BS01

Receptor Information
>6apl Chain B (length=300) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CRHLLHLAIQRHPHFRGLFNLSIPVLLWGDLFTPALWDRLSQHKAPYGWR
GLSHQVIASTLSLLNGSESAKLFAPPPKCIRCAVVGNGGILNGSRQGPNI
DAHDYVFRLNGAVIKGFERDVGTKTSFYGFTVNTMKNSLVSYWNLGFTSV
PQGQDLQYIFIPSDIRDYVMLRSAILGVPVPEGLDKGDRPHAYFGPEASA
SKFKLLHPDFISYLTERFLKSKLINTHDLYMPSTGALMLLTALHTCDQVS
AYGFITSNYWKFSDHYFERKMKPYANHDLSLEAALWRDLHKAGILQLYQR
Ligand information
Ligand IDC5P
InChIInChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyIERHLVCPSMICTF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
FormulaC9 H14 N3 O8 P
NameCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL307679
DrugBankDB03403
ZINCZINC000003861744
PDB chain6apl Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6apl Expression system for structural and functional studies of human glycosylation enzymes.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		N156 G157 L178 N179 G180 S304 G306 F325 I326 D335 H336
Binding residue
(residue number reindexed from 1)		N87 G88 L109 N110 G111 S233 G235 F254 I255 D264 H265
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) M302 H351
Catalytic site (residue number reindexed from 1) M231 H277
Enzyme Commision number 2.4.3.3: alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase.
Gene Ontology
Molecular Function
GO:0001665 alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase activity
GO:0008373 sialyltransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006486 protein glycosylation
GO:0006493 protein O-linked glycosylation
GO:0016266 O-glycan processing
GO:0019082 viral protein processing
GO:1990743 protein sialylation
Cellular Component
GO:0000139 Golgi membrane
GO:0005794 Golgi apparatus
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6apl, PDBe:6apl, PDBj:6apl
PDBsum6apl
PubMed29251719
UniProtQ9UJ37|SIA7B_HUMAN Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2 (Gene Name=ST6GALNAC2)

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