5BNE

Bianthranilate-like inhibitor with 6 atom "line" and phosphonate "hook" fishing for hydrogen bond donors in Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000162	biological_process	L-tryptophan biosynthetic process
A	0000287	molecular_function	magnesium ion binding
A	0004048	molecular_function	anthranilate phosphoribosyltransferase activity
A	0005576	cellular_component	extracellular region
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0008652	biological_process	amino acid biosynthetic process
A	0009073	biological_process	aromatic amino acid family biosynthetic process
A	0016740	molecular_function	transferase activity
A	0016757	molecular_function	glycosyltransferase activity
A	0016763	molecular_function	pentosyltransferase activity
A	0046872	molecular_function	metal ion binding
B	0000162	biological_process	L-tryptophan biosynthetic process
B	0000287	molecular_function	magnesium ion binding
B	0004048	molecular_function	anthranilate phosphoribosyltransferase activity
B	0005576	cellular_component	extracellular region
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0008652	biological_process	amino acid biosynthetic process
B	0009073	biological_process	aromatic amino acid family biosynthetic process
B	0016740	molecular_function	transferase activity
B	0016757	molecular_function	glycosyltransferase activity
B	0016763	molecular_function	pentosyltransferase activity
B	0046872	molecular_function	metal ion binding
C	0000162	biological_process	L-tryptophan biosynthetic process
C	0000287	molecular_function	magnesium ion binding
C	0004048	molecular_function	anthranilate phosphoribosyltransferase activity
C	0005576	cellular_component	extracellular region
C	0005829	cellular_component	cytosol
C	0005886	cellular_component	plasma membrane
C	0008652	biological_process	amino acid biosynthetic process
C	0009073	biological_process	aromatic amino acid family biosynthetic process
C	0016740	molecular_function	transferase activity
C	0016757	molecular_function	glycosyltransferase activity
C	0016763	molecular_function	pentosyltransferase activity
C	0046872	molecular_function	metal ion binding
D	0000162	biological_process	L-tryptophan biosynthetic process
D	0000287	molecular_function	magnesium ion binding
D	0004048	molecular_function	anthranilate phosphoribosyltransferase activity
D	0005576	cellular_component	extracellular region
D	0005829	cellular_component	cytosol
D	0005886	cellular_component	plasma membrane
D	0008652	biological_process	amino acid biosynthetic process
D	0009073	biological_process	aromatic amino acid family biosynthetic process
D	0016740	molecular_function	transferase activity
D	0016757	molecular_function	glycosyltransferase activity
D	0016763	molecular_function	pentosyltransferase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue 7P3 A 400

Chain	Residue
A	MET86
A	ALA190
A	ARG193
A	ARG194
A	HOH517
A	HOH518
A	HOH535
A	HOH594
A	HIS136
A	GLY137
A	ASN138
A	ALA179
A	PRO180
A	HIS183
A	TYR186
A	ARG187

---

site_id	AC2
Number of Residues	9
Details	binding site for residue IMD A 401

Chain	Residue
A	LEU305
A	GLY306
A	GLY307
A	ILE351
A	ASP352
A	GLU357
D	ALA236
D	ARG237
D	ARG238

---

site_id	AC3
Number of Residues	9
Details	binding site for residue 7P3 B 400

Chain	Residue
B	ASN138
B	ALA179
B	PRO180
B	HIS183
B	TYR186
B	ARG187
B	ALA190
B	ARG194
B	IMD402

---

site_id	AC4
Number of Residues	3
Details	binding site for residue IMD B 401

Chain	Residue
B	ASP159
B	ARG181
B	IMD402

---

site_id	AC5
Number of Residues	2
Details	binding site for residue IMD B 402

Chain	Residue
B	7P3400
B	IMD401

---

site_id	AC6
Number of Residues	6
Details	binding site for residue IMD C 400

Chain	Residue
B	LEU305
B	GLY306
B	GLY307
B	ILE351
B	GLU357
C	ARG213

---

site_id	AC7
Number of Residues	13
Details	binding site for residue 7P3 D 400

Chain	Residue
D	MET86
D	HIS136
D	ASN138
D	ALA179
D	PRO180
D	HIS183
D	TYR186
D	ARG187
D	ALA190
D	ARG193
D	ARG194
D	HOH514
D	HOH555

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00211","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	33
Details	Binding site: {}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00211","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"16337227","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23363292","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2011","submissionDatabase":"PDB data bank","title":"Inhibition of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase by blocking of an active site entrance tunnel.","authors":["Castell A.","Short L.F.","Evans G.","Bulloch E.M.","Cookson T.","Parker E.","Lee C.","Baker E.N.","Lott J.S."]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"AUG-2012","submissionDatabase":"PDB data bank","title":"Improved inhibitors against Mycobacterium tuberculosis anthranilate phosphoribosyltransferase.","authors":["Evans G.L.","Gamage S.A.","Denny W.A.","Baker E.N.","Lott J.S."]}}]}

Chain

Residue

Details

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