Structure of PDB 1uc9 Chain A Binding Site BS01

Receptor Information
>1uc9 Chain A (length=256) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLAILYDRIRPDERMLFERAEALGLPYKKVYVPALPMVLGERPKELEGVT
VALERCVSQSRGLAAARYLTALGIPVVNRPEVIEACGDKWATSVALAKAG
LPQPKTALATDREEALRLMEAFGYPVVLKPVIGAAAAAAAAAAAAAAAAG
FQHQLFYIQEYVEKPGRDIRVFVVGERAIAAIYRAENCPLTEEVARLSVK
AAEAVGGGVVAVDLFESERGLLVNEVNHTMEFKNSVHTTGVDIPGEILKY
AWSLAS
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain1uc9 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uc9 Crystal Structure of a Lysine Biosynthesis Enzyme, LysX, from Thermus thermophilus HB8
Resolution2.38 Å
Binding residue
(original residue number in PDB)		K129 Y171 V172 D178 R194 F239 N248
Binding residue
(residue number reindexed from 1)		K129 Y161 V162 D168 R184 F215 N224
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.2.43: [amino-group carrier protein]--L-2-aminoadipate ligase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0018169 ribosomal S6-glutamic acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009432 SOS response
GO:0018410 C-terminal protein amino acid modification
GO:0019878 lysine biosynthetic process via aminoadipic acid
GO:0036211 protein modification process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1uc9, PDBe:1uc9, PDBj:1uc9
PDBsum1uc9
PubMed12963379
UniProtQ5SH23|LYSX_THET8 Alpha-aminoadipate--LysW ligase LysX (Gene Name=lysX)

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