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Structure of PDB 7nny Chain F Binding Site BS01

Receptor Information >7nny Chain F (length=299) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] SVIRHFLRDDDLSPAEQAEVLELAAELKKDPVSRRPLQGPRGVAVIFDKN STRTRFSFELGIAQLGGHAVVVDSGSTQLGRDETLQDTAKVLSRYVDAIV WRTFGQERLDAMASVATVPVINALSDEFHPCQVLADLQTIAERKGALRGL RLSYFGDGANNMAHSLLLGGVTAGIHVTVAAPEGFLPDPSVRAAAERRAQ DTGASVTVTADAHAAAAGADVLVTDTWTDRVKPFRPFQLNSRLLALADSD AIVLHCLPAHRGDEITDAVMDGPASAVWDEAENRLHAQKALLVWLLERS

Ligand information Ligand ID 1NP InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H InChIKey KJCVRFUGPWSIIH-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)cccc2O ACDLabs 10.04 Oc2cccc1ccccc12 CACTVS 3.341 Oc1cccc2ccccc12 Formula C10 H8 O Name 1-NAPHTHOL; naphthalen-1-ol ChEMBL CHEMBL122617 DrugBank ZINC ZINC000004292977 PDB chain 7nny Chain D Residue 604 [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 7nny A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Resolution 1.57 Å Binding residue (original residue number in PDB) T51 R52 Binding residue (residue number reindexed from 1) T52 R53 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) R101 H128 Q131 D224 C264 R292 Catalytic site (residue number reindexed from 1) R102 H129 Q132 D225 C256 R284 Enzyme Commision number 2.1.3.3: ornithine carbamoyltransferase.

Gene Ontology Molecular Function GO:0004585 ornithine carbamoyltransferase activity GO:0016597 amino acid binding GO:0016740 transferase activity GO:0016743 carboxyl- or carbamoyltransferase activity

	Biological Process
GO:0006520	amino acid metabolic process
GO:0006526	L-arginine biosynthetic process
GO:0006591	ornithine metabolic process
GO:0019240	citrulline biosynthetic process
GO:0042450	arginine biosynthetic process via ornithine

	Cellular Component
GO:0005737	cytoplasm

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