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Structure of PDB 7kto Chain C Binding Site BS01

Receptor Information >7kto Chain C (length=306) Species: 192222 (Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] HHHHHHGSMDKNIIIGAMTALITPFKNGKVDEQSYARLIKRQIENGIDAV VPVGTTGESATLTAEEHRTCIEIAVETCKGTKVKVLAGAGSNATHEAVGL AKFAKEHGADGILSVAPYYNKPTQQGLYEHYKAIAQSVDIPVLLYNVPGR TGCEISTDTIIKLFRDCENIYGVKEASGNIDKCVDLLAHEPRMMLISGED AINYPILSNGGKGVISVTSNLLPDMISALTHFALDENYKEAKKINDELYN INKILFCESNPIPIKTAMYLAGLIESLEFRLPLCSPSKENFAKIEEVMKK YKIKGF

Ligand information Ligand ID 3VN InChI InChI=1S/C14H30N4O4/c15-9-3-1-5-13(17,11(19)20)7-8-14(18,12(21)22)6-2-4-10-16/h1-10,15-18H2,(H,19,20)(H,21,22)/t13-,14-/m1/s1 InChIKey XYUHPPVEDOOPDE-ZIAGYGMSSA-N SMILES Software SMILES ACDLabs 12.01 O=C(O)C(N)(CCC(N)(C(=O)O)CCCCN)CCCCN CACTVS 3.385 NCCCC[C@@](N)(CC[C@](N)(CCCCN)C(O)=O)C(O)=O OpenEye OEToolkits 1.7.6 C(CCN)CC(CCC(CCCCN)(C(=O)O)N)(C(=O)O)N CACTVS 3.385 NCCCC[C](N)(CC[C](N)(CCCCN)C(O)=O)C(O)=O OpenEye OEToolkits 1.7.6 C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N Formula C14 H30 N4 O4 Name (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid; bis-Lysine ChEMBL CHEMBL4516644 DrugBank ZINC ZINC000263621249 PDB chain 7kto Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 7kto ALLOSTERIC SITE RESIDUE 'H56' CAPS THE INHIBITOR AT THE TIGHT DIMER INTERFACE FOR TRANSMITTING THE ALLOSTERIC INHIBITION SIGNALS IN Cj.DHDPS Resolution 2.13 Å Binding residue (original residue number in PDB) N84 Y110 Binding residue (residue number reindexed from 1) N92 Y118 Annotation score 1

Enzymatic activity Enzyme Commision number 4.3.3.7: 4-hydroxy-tetrahydrodipicolinate synthase.

Gene Ontology Molecular Function GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity GO:0016829 lyase activity

	Biological Process
GO:0009085	lysine biosynthetic process
GO:0009089	lysine biosynthetic process via diaminopimelate
GO:0019877	diaminopimelate biosynthetic process
GO:0044281	small molecule metabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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