Structure of PDB 5gz9 Chain A Binding Site BS01

Receptor Information
>5gz9 Chain A (length=280) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPPGYFRMGRMRQCSRWLSCEELRTEVRQLKRVGEGAVKRVFLSEWKEHK
VALSRLTRLEMKEDFLHGLQMLKSLQSEHVVTLVGYCEEDGTILTEYHPL
GSLSNLEETLQKYQDVNTWQHRLQLAMEYVSIINYLHHSPLGTRVMCDSN
DLPKTLSQYLLTSNFSIVANDLDALPLVDSGVLIKCGHRELHGDFVAPEQ
LWPYGEDTPFQDDLMPSYNEKVDIWKIPDVSSFLLGHVEGSDMVRFHLFD
IHKACKSQIPAERPTAQNVLDAYQRVFHSL
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain5gz9 Chain A Residue 1001 [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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PDB5gz9 3D structural analysis of protein O-mannosyl kinase, POMK, a causative gene product of dystroglycanopathy.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G89 A90 V91 K92 V94 A105 Y150 H151 D203 K209 Q213 L215 N225 D226 D228
Binding residue
(residue number reindexed from 1)		G36 A37 V38 K39 V41 A52 Y97 H98 D148 K154 Q158 L160 N170 D171 D173
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.1.183: glycoprotein-mannosyl O(6)-kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
GO:0019200 carbohydrate kinase activity
Biological Process
GO:0006468 protein phosphorylation
GO:0006493 protein O-linked glycosylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5gz9, PDBe:5gz9, PDBj:5gz9
PDBsum5gz9
PubMed28251761
UniProtQ3TUA9|SG196_MOUSE Protein O-mannose kinase (Gene Name=Pomk)

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