Structure of PDB 3b2t Chain B Binding Site BS01

Receptor Information
>3b2t Chain B (length=287) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PMLAGVSEYELPEDPKWEFPRDKLTLGKPLFGQVVMAEAVGIDKPKEAVT
VAVKMLKDDATEKDLSDLVSEMEMMKMIGKHKNIINLLGACTQDGPLYVI
VEYASKGNLREYLRARRPPQMTFKDLVSCTYQLARGMEYLASQKCIHRDL
TARNVLVTENNVMKIADFGLARDINNIDYYKKTTNGRLPVKWMAPEALFD
RVYTHQSDVWSFGVLMWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPAN
CTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRILTLT
Ligand information
Ligand IDM33
InChIInChI=1S/C11H17N5O9P2/c1-26(19,20)25-27(21,22)23-2-5-7(17)8(18)11(24-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H,21,22)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyIPSMXNMCXMRRGZ-IOSLPCCCSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C
OpenEye OEToolkits 1.5.0CP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
FormulaC11 H17 N5 O9 P2
Name5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine
ChEMBL
DrugBank
ZINCZINC000016052405
PDB chain3b2t Chain B Residue 1996 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b2t Structural basis for reduced FGFR2 activity in LADD syndrome: Implications for FGFR autoinhibition and activation.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L487 V495 A515 A567 L633
Binding residue
(residue number reindexed from 1)		L30 V34 A52 A104 L156
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.21,Kd=6.21uM
Enzymatic activity
Catalytic site (original residue number in PDB) D626 T628 R630 N631 D644
Catalytic site (residue number reindexed from 1) D149 T151 R153 N154 D167
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3b2t, PDBe:3b2t, PDBj:3b2t
PDBsum3b2t
PubMed18056630
UniProtP21802|FGFR2_HUMAN Fibroblast growth factor receptor 2 (Gene Name=FGFR2)

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