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- ChemComp-BHA: 2-HYDROXY-4-AMINOBENZOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: BHA
NameName: 2-hydroxy-4-aminobenzoic acid

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Chemical information

Composition
Formula: C7H7NO3 / Number of atoms: 18 / Formula weight: 153.135 / Formal charge: 0
Others

1pbf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BHA / Model coordinates PDB-ID: 1PBF
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)c1ccc(cc1O)N
CACTVS 3.341Nc1ccc(C(O)=O)c(O)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1N)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341Nc1ccc(C(O)=O)c(O)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1N)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)

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InChIKey

InChI 1.03WUBBRNOQWQTFEX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-amino-2-hydroxybenzoic acid
OpenEye OEToolkits 1.5.04-amino-2-hydroxy-benzoic acid

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PDB entries

Showing all 6 items

PDB-1pbc:
CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING

PDB-1pbf:
CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING

PDB-1sxk:
Crystal Structure of a complex formed between phospholipase A2 and a non-specific anti-inflammatory amino salicylic acid at 1.2 A resolution

PDB-5rue:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922

PDB-5x7z:
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH P-AMINOSALICYLIC ACID

PDB-9my7:
Structure of the BasE mutant V336G, an NRPS adenylation domain in the acinetobactin biosynthetic pathway bound to 4-amino salicylic acid

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