3RV7

Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Isopropyl R-Group

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	0004106	molecular_function	chorismate mutase activity
A	0005886	cellular_component	plasma membrane
A	0008909	molecular_function	isochorismate synthase activity
A	0009058	biological_process	biosynthetic process
A	0009697	biological_process	salicylic acid biosynthetic process
A	0010106	biological_process	cellular response to iron ion starvation
A	0016829	molecular_function	lyase activity
A	0016833	molecular_function	oxo-acid-lyase activity
A	0016853	molecular_function	isomerase activity
A	0019540	biological_process	catechol-containing siderophore biosynthetic process
A	0043904	molecular_function	isochorismate pyruvate lyase activity
A	0044847	biological_process	iron acquisition from host
A	0046872	molecular_function	metal ion binding
B	0000162	biological_process	L-tryptophan biosynthetic process
B	0000287	molecular_function	magnesium ion binding
B	0004106	molecular_function	chorismate mutase activity
B	0005886	cellular_component	plasma membrane
B	0008909	molecular_function	isochorismate synthase activity
B	0009058	biological_process	biosynthetic process
B	0009697	biological_process	salicylic acid biosynthetic process
B	0010106	biological_process	cellular response to iron ion starvation
B	0016829	molecular_function	lyase activity
B	0016833	molecular_function	oxo-acid-lyase activity
B	0016853	molecular_function	isomerase activity
B	0019540	biological_process	catechol-containing siderophore biosynthetic process
B	0043904	molecular_function	isochorismate pyruvate lyase activity
B	0044847	biological_process	iron acquisition from host
B	0046872	molecular_function	metal ion binding
C	0000162	biological_process	L-tryptophan biosynthetic process
C	0000287	molecular_function	magnesium ion binding
C	0004106	molecular_function	chorismate mutase activity
C	0005886	cellular_component	plasma membrane
C	0008909	molecular_function	isochorismate synthase activity
C	0009058	biological_process	biosynthetic process
C	0009697	biological_process	salicylic acid biosynthetic process
C	0010106	biological_process	cellular response to iron ion starvation
C	0016829	molecular_function	lyase activity
C	0016833	molecular_function	oxo-acid-lyase activity
C	0016853	molecular_function	isomerase activity
C	0019540	biological_process	catechol-containing siderophore biosynthetic process
C	0043904	molecular_function	isochorismate pyruvate lyase activity
C	0044847	biological_process	iron acquisition from host
C	0046872	molecular_function	metal ion binding
D	0000162	biological_process	L-tryptophan biosynthetic process
D	0000287	molecular_function	magnesium ion binding
D	0004106	molecular_function	chorismate mutase activity
D	0005886	cellular_component	plasma membrane
D	0008909	molecular_function	isochorismate synthase activity
D	0009058	biological_process	biosynthetic process
D	0009697	biological_process	salicylic acid biosynthetic process
D	0010106	biological_process	cellular response to iron ion starvation
D	0016829	molecular_function	lyase activity
D	0016833	molecular_function	oxo-acid-lyase activity
D	0016853	molecular_function	isomerase activity
D	0019540	biological_process	catechol-containing siderophore biosynthetic process
D	0043904	molecular_function	isochorismate pyruvate lyase activity
D	0044847	biological_process	iron acquisition from host
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE RVB A 451

Chain	Residue
A	PRO251
A	ALA418
A	GLY419
A	LYS438
A	HOH562
A	GLU252
A	LEU268
A	THR271
A	HIS334
A	THR361
A	TYR385
A	LEU404
A	ARG405

---

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE RVB B 451

Chain	Residue
B	PRO251
B	GLU252
B	LEU268
B	THR271
B	HIS334
B	THR361
B	TYR385
B	LEU404
B	ARG405
B	ALA418
B	GLY419
B	LYS438
B	HOH561

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE RVB C 451

Chain	Residue
C	THR271
C	TYR385
C	LEU404
C	ARG405
C	ALA418
C	GLY419
C	LYS438

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE RVB D 451

Chain	Residue
D	PRO251
D	LEU268
D	THR361
D	TYR385
D	LEU404
D	ARG405
D	ALA418
D	GLY419
D	LYS438
D	HOH547

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"Q9X9I8","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20512795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22607697","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20512795","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16923875","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20512795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22607697","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Site: {"description":"Could activate a water molecule for attack at the C2 of chorismate and involved in recognition/elimination of the C4 hydroxyl","evidences":[{"source":"PubMed","id":"17240979","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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