Structure of PDB 6c3d Chain A Binding Site BS01

Receptor Information
>6c3d Chain A (length=377) Species: 1003195 (Streptantibioticus cattleyicolor NRRL 8057 = DSM 46488) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDLTQHEIQALTMKYNLADAHTHQRQSASQQSIVSRLPQLWYEAEEGLQA
TYEKRFTEAFFQLHRQPTALVKNKTMLSYAASISTMVAGMFLKKERLAVT
LIEPCFDNLYDVLANMDVPLYPIDESVFYDVDRIYPELERRVRTDALFLV
DPNNPTGFSLLRHGRKGFEEVVRFCKDHDKLLLIDFCFASFTLFEPELAR
FDMYELLENSGVRYLAIEDTGKTWPVQDAKCALITASDDIWETVYNLHTS
VLLNVSPFVLNMLTQYVRDSAADRLASVREVLTRNRECARKTLDGSILEY
QEPVVKVSVAWFRVDHPELTATDVHRLLSADGVYVLPGRYFYWSEPSKGD
AYVRMALAREPEMFADAMALTRQVLDR
Ligand information
Ligand IDEMS
InChIInChI=1S/C14H20N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h2-3,5-6,18,20H,4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b3-2+,10-6-,19-11+
InChIKeyDYVCEYAQAUKHHQ-PUVXEYBGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC1=C(O)\C(=C/N=C(\C=C\CNC(N)=N)C(O)=O)C(=CN1)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6[H]/N=C(\N)/NC\C=C\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O
CACTVS 3.385CC1=C(O)C(=CN=C(C=CCNC(N)=N)C(O)=O)C(=CN1)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6CC1=C(C(=CN=C(C=CCNC(=N)N)C(=O)O)C(=CN1)COP(=O)(O)O)O
ACDLabs 12.01C=1(NC=C(C(\C=1O)=C\N=C(/C=C/CN\C(=N)N)C(O)=O)COP(O)(O)=O)C
FormulaC14 H20 N5 O7 P
Name(2E,3E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic acid
ChEMBL
DrugBank
ZINC
PDB chain6c3d Chain A Residue 407 [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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PDB6c3d Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		T17 E20 A33 H34 S95 F119 N121 N167 D198 C200 K235 K243 R367
Binding residue
(residue number reindexed from 1)		T4 E7 A20 H21 S82 F106 N108 N154 D185 C187 K222 K230 R354
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process
GO:1901605 alpha-amino acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6c3d, PDBe:6c3d, PDBj:6c3d
PDBsum6c3d
PubMed29466666
UniProtG8WNK6

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