Structure of PDB 4lc1 Chain B Binding Site BS01

Receptor Information
>4lc1 Chain B (length=308) Species: 272630 (Methylorubrum extorquens AM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLPDMDTLRERLLAGDRAALARAITLAESRRADHRAAVRDLIDAVLPQTG
RAIRVGITGVPGVGKSTTIDALGSLLTAAGHKVAVLAVDPSSRMARLAID
RNAFIRPSPSSGTLGGVAAKTRETMLLCEAAGFDVILVETVQSETAVADL
TDFFLVLMLPGELQGIKKGIFELADMIAVNKADDGDGERRASAAASEYRA
ALHILTPPSATWTPPVVTISGLHGKGLDSLWSRIEDHRSKLTATGEIAGK
RREQDVKWMWALVHERLHQRLVGSAEVRQATAEAERAVAGGEHSPAAGAD
AIATLIGL
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 chain4lc1 Chain B Residue 401 [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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PDB4lc1 Autoinhibition and Signaling by the Switch II Motif in the G-protein Chaperone of a Radical B12 Enzyme.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G65 V66 G67 K68 S69 T70 N201 K202 D204 S241 L243
Binding residue
(residue number reindexed from 1)		G62 V63 G64 K65 S66 T67 N180 K181 D183 S220 L222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:4lc1, PDBe:4lc1, PDBj:4lc1
PDBsum4lc1
PubMed23996001
UniProtC5AP93

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