Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6ZA5

M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+

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	10
Details	binding site for residue SO4 A 501

Chain	Residue
A	LYS205
A	HOH815
A	ALA269
A	GLY270
A	GLY421
A	MG518
A	HOH605
A	HOH701
A	HOH730
A	HOH799

site_id	AC2
Number of Residues	2
Details	binding site for residue SO4 A 502

Chain	Residue
A	ARG245
A	ARG449

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 503

Chain	Residue
A	ARG327
A	ARG329
A	HOH602
A	HOH731

site_id	AC4
Number of Residues	7
Details	binding site for residue SO4 A 504

Chain	Residue
A	THR271
A	ARG430
A	GLU434
A	GLU437
A	SO4514
A	HOH604
A	HOH773

site_id	AC5
Number of Residues	6
Details	binding site for residue SO4 A 505

Chain	Residue
A	GLN123
A	ARG124
A	HOH601
A	HOH770
C	ARG189
C	HOH633

site_id	AC6
Number of Residues	3
Details	binding site for residue SO4 A 506

Chain	Residue
A	PRO278
A	ARG282
A	HOH626

site_id	AC7
Number of Residues	4
Details	binding site for residue SO4 A 507

Chain	Residue
A	GLU43
A	ASP44
A	GLY59
A	VAL60

site_id	AC8
Number of Residues	8
Details	binding site for residue SO4 A 508

Chain	Residue
A	GLY383
A	LEU384
A	VAL410
A	TRP415
A	HOH645
A	HOH660
A	HOH671
A	HOH728

site_id	AC9
Number of Residues	5
Details	binding site for residue SO4 A 509

Chain	Residue
A	GLY243
A	SO4517
A	HOH632
A	HOH691
A	HOH836

site_id	AD1
Number of Residues	4
Details	binding site for residue SO4 A 510

Chain	Residue
A	GLU171
A	VAL172
A	ARG225
A	ARG229

site_id	AD2
Number of Residues	3
Details	binding site for residue SO4 A 511

Chain	Residue
A	ARG228
A	THR232
A	HOH741

site_id	AD3
Number of Residues	3
Details	binding site for residue SO4 A 512

Chain	Residue
A	THR79
A	ARG81
A	HOH603

site_id	AD4
Number of Residues	3
Details	binding site for residue SO4 A 513

Chain	Residue
A	SER68
A	ASP69
A	PRO127

site_id	AD5
Number of Residues	6
Details	binding site for residue SO4 A 514

Chain	Residue
A	LYS293
A	SO4504
A	HOH604
A	HOH725
A	HOH736
A	HOH759

site_id	AD6
Number of Residues	3
Details	binding site for residue SO4 A 515

Chain	Residue
A	PRO19
A	ARG282
A	ARG285

site_id	AD7
Number of Residues	3
Details	binding site for residue SO4 A 516

Chain	Residue
A	ARG72
A	ARG81
A	SO4517

site_id	AD8
Number of Residues	3
Details	binding site for residue SO4 A 517

Chain	Residue
A	GLU65
A	SO4509
A	SO4516

site_id	AD9
Number of Residues	6
Details	binding site for residue MG A 518

Chain	Residue
A	GLY421
A	SO4501
A	HOH692
A	HOH701
A	HOH730
A	HOH799

site_id	AE1
Number of Residues	6
Details	binding site for residue MG A 519

Chain	Residue
A	ASP311
A	HOH620
A	HOH636
C	HOH618
C	HOH631
C	HOH640

site_id	AE2
Number of Residues	6
Details	binding site for residue ACT A 520

Chain	Residue
A	TYR385
A	LEU404
A	ARG405
A	GLY419
A	LYS438
A	HOH624

site_id	AE3
Number of Residues	5
Details	binding site for residue MG B 501

Chain	Residue
B	HOH653
B	GLU297
B	GLU434
B	SAL502
B	HOH608

site_id	AE4
Number of Residues	12
Details	binding site for residue SAL B 502

Chain	Residue
B	LEU268
B	GLY270
B	THR271
B	GLU297
B	HIS334
B	THR361
B	ARG405
B	GLY421
B	GLU434
B	LYS438
B	MG501
B	SO4503

site_id	AE5
Number of Residues	8
Details	binding site for residue SO4 B 503

Chain	Residue
B	TYR385
B	LEU404
B	ARG405
B	ALA418
B	GLY419
B	LYS438
B	SAL502
B	HOH603

site_id	AE6
Number of Residues	3
Details	binding site for residue SO4 B 504

Chain	Residue
B	ARG327
B	ARG329
B	HOH661

site_id	AE7
Number of Residues	4
Details	binding site for residue SO4 B 505

Chain	Residue
B	ARG228
B	THR232
B	HOH628
B	HOH755

site_id	AE8
Number of Residues	6
Details	binding site for residue SO4 B 506

Chain	Residue
B	GLU65
B	ARG133
B	GLY243
B	HOH604
B	HOH615
B	HOH674

site_id	AE9
Number of Residues	4
Details	binding site for residue SO4 B 507

Chain	Residue
A	GLU425
A	HOH608
B	SER292
B	HOH652

site_id	AF1
Number of Residues	7
Details	binding site for residue SO4 C 501

Chain	Residue
C	TYR385
C	LEU404
C	ARG405
C	ALA418
C	GLY419
C	LYS438
C	HOH616

site_id	AF2
Number of Residues	7
Details	binding site for residue SO4 C 502

Chain	Residue
A	PRO315
C	ARG245
C	GLN409
C	ARG449
C	HOH602
C	HOH604
C	HOH605

site_id	AF3
Number of Residues	7
Details	binding site for residue SO4 C 503

Chain	Residue
C	PRO215
C	PHE216
C	ALA217
C	HOH601
C	HOH609
C	HOH668
C	HOH673

site_id	AF4
Number of Residues	2
Details	binding site for residue SO4 C 504

Chain	Residue
C	ARG327
C	ARG329

site_id	AF5
Number of Residues	5
Details	binding site for residue MG D 501

Chain	Residue
D	GLU297
D	GLU434
D	SAL502
D	HOH609
D	HOH610

site_id	AF6
Number of Residues	12
Details	binding site for residue SAL D 502

Chain	Residue
D	LEU268
D	GLY270
D	THR271
D	GLU297
D	HIS334
D	THR361
D	ARG405
D	GLY421
D	GLU434
D	LYS438
D	MG501
D	SO4504

site_id	AF7
Number of Residues	6
Details	binding site for residue SO4 D 503

Chain	Residue
D	ARG327
D	ARG329
D	SO4509
D	HOH605
D	HOH606
D	HOH614

site_id	AF8
Number of Residues	8
Details	binding site for residue SO4 D 504

Chain	Residue
D	TYR385
D	LEU404
D	ARG405
D	ALA418
D	GLY419
D	LYS438
D	SAL502
D	HOH604

site_id	AF9
Number of Residues	6
Details	binding site for residue SO4 D 505

Chain	Residue
B	ARG276
D	GLY411
D	GLY412
D	HOH624
D	HOH644
D	HOH650

site_id	AG1
Number of Residues	8
Details	binding site for residue SO4 D 506

Chain	Residue
A	GLU429
A	ARG430
D	ARG170
D	GLU171
D	VAL172
D	ARG225
D	ARG229
D	HOH601

site_id	AG2
Number of Residues	2
Details	binding site for residue SO4 D 507

Chain	Residue
A	SER185
D	GLU328

site_id	AG3
Number of Residues	4
Details	binding site for residue SO4 D 508

Chain	Residue
D	SER177
D	PRO444
D	HOH637
D	HOH676

site_id	AG4
Number of Residues	3
Details	binding site for residue SO4 D 509

Chain	Residue
D	GLU266
D	THR338
D	SO4503

site_id	AG5
Number of Residues	6
Details	binding site for residue SO4 D 510

Chain	Residue
D	ARG235
D	LEU253
D	ALA256
D	ILE264
D	HOH602
D	HOH631

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

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)