Structure of PDB 3v8x Chain A Binding Site BS01

Receptor Information
>3v8x Chain A (length=853) Species: 491 (Neisseria meningitidis serogroup B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVTGLGKLVKSSDTLSKEQVLNIRDLTRYDPGIAVVEQGRGASSGYSIRG
MDKNRVSLTVDGVSQIQSYTAQAALGGTRTAGSSGAINEIEYENVKAVEI
SKGSNSVEQGSGALAGSVAFQTKTADDVIGEGRQWGIQSKTAYSGKNRGL
TQSIALAGRIGGAEALLIHTGRRAGEIRAHEDAGRGVQSFNRLVPVEDSS
NYAYFIVKEECKNGSYETCKANPKKDVVGKDERQTVSTRDYTGPNRFLAD
PLSYESRSWLFRPGFRFENKRHYIGGILEHTQQTFDTRDMTVPAFLTKAV
FDANKKQAGSLPGNGKYAGNHKYGGLFTNGENGALVGAEYGTGVFYDETH
TKSRYGLEYVYTNADKDTWADYARLSYDRQGVGLDNHFQQTHCSADGSDK
YCRPSADKPFSYYKSDRVIYGESHRLLQAAFKKSFDKIRHNLSVNLGFDR
FGSNLRHQDYYYQHANRAYSSNTPPQNNGKKISPNGSETSPYWVTIGRGN
VVTGQICRLGNNTYTDCTPRSINGKSYYAAVRDNVRLGRWADVGAGLRYD
YRSTHSDDGSVSTGTHRTLSWNAGIVLKPTDWLDLTYRTSTGFRLPSFAE
MYGWRAGVQSKAVKIDPEKSFNKEAGIVFKGDFGNLEASWFNNAYRDLIV
RGYEAQIKDGKEEAKGDPAYLNAQSARITGINILGKIDWNGVWYSTFAYN
RVRVRDIKKRADRTDIQSHLFDAIQPSRYVVGLGYDQPEGKWGVNGMLTY
SKAKEITELLGSRALLNGNSRNTKATARRTRPWYIVDVSGYYTVKKHFTL
RAGVYNLLNYRYVTWENVRQTAGGAVNQHKNVGVYNRYAAPGRNYTFSLE
YKF
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain3v8x Chain C Residue 4 [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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PDB3v8x Structural basis for iron piracy by pathogenic Neisseria.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R522 Y524
Binding residue
(residue number reindexed from 1)		R467 Y469
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015091 ferric iron transmembrane transporter activity
GO:0015344 siderophore uptake transmembrane transporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006826 iron ion transport
GO:0033214 siderophore-dependent iron import into cell
GO:0044718 siderophore transmembrane transport
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0019867 outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3v8x, PDBe:3v8x, PDBj:3v8x
PDBsum3v8x
PubMed22327295
UniProtQ9K0U9|TBPA_NEIMB Transferrin-binding protein A (Gene Name=tbp1)

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