Structure of PDB 1c4k Chain A Binding Site BS02

Receptor Information
>1c4k Chain A (length=728) Species: 1593 (Lactobacillus sp. 30A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSSLKIASTQEARQYFDTDRVVVDAVGSDFTDVGAVIAMDYETDVIDAAD
ATKFGIPVFAVTKDAQAISADELKKIFHIIDLEFDATVNAREIETAVNNY
EDSILPPFFKSLKEYVSRYLIQFDCPGHQGGQYYRKHPAGREFYDFFGET
VFRADLCNADVALGDLLIHEGPAVAAEKHAARVYNADKTYFVLGGSSNAN
NTVTSALVSNGDLVLFDRNNHKSVYNSALAMAGGRPVYLQTNRNPYGFIG
GIYDSDFDEKKIRELAAKVDPERAKWKRPFRLAVIQLGTYDGTIYNAHEV
VKRIGHLCDYIEFDSAWVGYEQFIPMMRNSSPLLIDDLGPEDPGIIVVQS
VHKQQAGFSQTSQIHKKDSHIKGQLRYCDHKHFNNSFNLFMSTSPFYPMY
AALDVNAAMQEGEAGRKLWHDLLITTIEARKKLIKAGSMFRPFVPPVVNG
KKWEDGDTEDMANNIDYWRFEKGAKWHAYEGYGDNQYYVDPNKFMLTTPG
INPETGDYEDFGVPATIVANYLRDHGIIPEKSDLNSILFLMTPAETPAKM
NNLITQLLQLQRLIEEDAPLKQVLPSIYAANEERYNGYTIRELCQELHDF
YKNNNTFTYQKRLFLREFFPEQGMLPYEARQEFIRNHNKLVPLNKIEGEI
ALEGALPYPPGVFCVAPGEKWSETAVKYFTILQDGINNFPGFAPEIQGVY
FKQEGDKVVAYGEVYDAEVAKNDDRYNN
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain1c4k Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c4k Three-dimensional structure of the Gly121Tyr dimeric form of ornithine decarboxylase from Lactobacillus 30a.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H171 E179 K190 T191 Y192 K374 Y379 D381 H382 K383
Binding residue
(residue number reindexed from 1)		H169 E177 K188 T189 Y190 K372 Y377 D379 H380 K381
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H223 D316 K355
Catalytic site (residue number reindexed from 1) H221 D314 K353
Enzyme Commision number 4.1.1.17: ornithine decarboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004586 ornithine decarboxylase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1c4k, PDBe:1c4k, PDBj:1c4k
PDBsum1c4k
PubMed10666573
UniProtP43099|DCOR_LACS3 Inducible ornithine decarboxylase (Gene Name=odcI)

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