Structure of PDB 6iaa Chain A Binding Site BS01

Receptor Information
>6iaa Chain A (length=815) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRLRQEDFPPRIVEHPSDVIVSKGEPTTLNCKAEGRPTPTIEWYKDGERV
ETDKDDPRSHRMLLPSGSLFFLRIVHGRRSKPDEGSYVCVARNYLGEAVS
RNASLEVALLRDDFRQNPTDVVVAAGEPAILECQPPRGHPEPTIYWKKDK
VRIDDKEERISIRGGKLMISNTRKSDAGMYTCVGTNMVGERDSDPAELTV
FERPTFLRRPINQVVLEEEAVEFRCQVQGDPQPTVRWKKDDADLPRGRYD
IKDDYTLRIKKTMSTDEGTYMCIAENRVGKMEASATLTVRAPPQFVVRPR
DQIVAQGRTVTFPCETKGNPQPAVFWQKEGSQNLLFPNQPQQPNSRCSVS
PTGDLTITNIQRSDAGYYICQALTVAGSILAKAQLEVTDVLTDRPPPIIL
QGPANQTLAVDGTALLKCKATGDPLPVISWLKEGFTFPGRDPRATIQEQG
TLQIKNLRISDTGTYTCVATSSSGETSWSAVLDVTESGATISKNYDLSDL
PGPPSKPQVTDVTKNSVTLSWQPGTPGTLPASAYIIEAFSQSVSNSWQTV
ANHVKTTLYTVRGLRPNTIYLFMVRAINPQGLSDPSPMSDPVRTQDISPP
AQGVDHRQVQKELGDVLVRLHNPVVLTPTTVQVTWTVDRQPQFIQGYRVM
YRQTSGLQATSSWQNLDAKVPTERSAVLVNLKKGVTYEIKVRPYFNEFQG
MDSESKTVRTTEEAPSAPPQSVTVLTVGTSISVSWDPPPPDHQNGIIQEY
KIWCLGNETRFHINKTVDAAIRSVIIGGLFPGIQYRVEVAASTSAGVGVK
SEPQPIIIGRRNEVV
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 chain6iaa Chain E Residue 5 [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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PDB6iaa Structural Principles in Robo Activation and Auto-inhibition.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		H574 K576
Binding residue
(residue number reindexed from 1)		H553 K555
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:6iaa, PDBe:6iaa, PDBj:6iaa
PDBsum6iaa
PubMed30853216
UniProtQ9HCK4|ROBO2_HUMAN Roundabout homolog 2 (Gene Name=ROBO2)

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