Structure of PDB 3i8x Chain B Binding Site BS01

Receptor Information
>3i8x Chain B (length=261) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKLTIGLIGNPNSGKTTLFNQLTGSRQRVGNWAGVTVERKEGQFSTTDH
QVTLVDLPGTYSLTTISSQTSLDEQIACHYILSGDADLLINVVDASNLER
NLYLTLQLLELGIPCIVALNMLDIAEKQNIRIEIDALSARLGCPVIPLVS
TRGRGIEALKLAIDRYKANENVELVHYAQPLLNEADSLAKVMPSDIPLKQ
RRWLGLQMLEGDIYSRAYAGEASQHLDAALARLRNEMDDPALHIADARYQ
CIAAICDVVSN
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain3i8x Chain B Residue 275 [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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PDB3i8x Structural basis for the intrinsic GTPase and GDI activities of FeoB, a prokaryotic transmembrane GTP/GDP-binding protein
Resolution2.25 Å
Binding residue
(original residue number in PDB)		N13 G15 K16 T17 T18 N120 M121 D123 V149 T151
Binding residue
(residue number reindexed from 1)		N13 G15 K16 T17 T18 N120 M121 D123 V149 T151
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005525 GTP binding
GO:0015093 ferrous iron transmembrane transporter activity
Biological Process
GO:0006826 iron ion transport
Cellular Component
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:3i8x, PDBe:3i8x, PDBj:3i8x
PDBsum3i8x
PubMed
UniProtP33650|FEOB_ECOLI Fe(2+) transporter FeoB (Gene Name=feoB)

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