Structure of PDB 5hzi Chain B Binding Site BS01

Receptor Information
>5hzi Chain B (length=476) Species: 4498,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTPTERKRQGYIHELIVTEENYVNDLQLVTEIFQKPLMESELLTEKEVAM
IFVNWKELIMCNIKLLKALRVRKKMSGELATTLERIEKNFVITDPRLPDN
PIIFASDSFLQLTEYSREEILGRNMRFLQGPETDRATVRKIRDAIDNQTE
VTVQLINYTKSGKKFWNLFHLQPMRDQKGDVQYFIGVQLDGTEHVRDAAE
REGVMLIKKTAENIDEAAKELKMPVKMIGDILSAQLPHMQPYIRFCSRQL
NGAALIQQKTDEAPDFKEFVKRLAMDPRCKGMPLSSFILKPMQRVTRYPL
IIKNILENTPENHPDHSHLKHALEKAEELCSQVNEGVREKENSDRLEWIQ
AHVQCEGLSEQLVFNSVTNCLGPRKFLHSGKLYKAKSNKELYGFLFNDFL
LLTQITVFSPKSNLQYKMYKTPIFLNEVLVKLPPIFHISHIDRVYTLRAE
SINERTAWVQKIKAASELYIETEKKK
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain5hzi Chain B Residue 1801 [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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PDB5hzi Engineering extrinsic disorder to control protein activity in living cells.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		T1323 M1355 R1356 L1358 Q1359 V1368 R1372 I1375 N1387 F1399 L1401 F1414 G1416 Q1418
Binding residue
(residue number reindexed from 1)		T93 M125 R126 L128 Q129 V138 R142 I145 N157 F169 L171 F184 G186 Q188
Annotation score1
Enzymatic activity
Enzyme Commision number ?
2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity
Biological Process
GO:0035556 intracellular signal transduction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5hzi, PDBe:5hzi, PDBj:5hzi
PDBsum5hzi
PubMed27980211
UniProtO49003;
Q15811|ITSN1_HUMAN Intersectin-1 (Gene Name=ITSN1)

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