Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3HWK

Crystal structure of methylcitrate synthase from Mycobacterium tuberculosis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004108	molecular_function	citrate (Si)-synthase activity
A	0005737	cellular_component	cytoplasm
A	0005975	biological_process	carbohydrate metabolic process
A	0006099	biological_process	tricarboxylic acid cycle
A	0016740	molecular_function	transferase activity
A	0019679	biological_process	propionate metabolic process, methylcitrate cycle
A	0036440	molecular_function	citrate synthase activity
A	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
A	0050440	molecular_function	2-methylcitrate synthase activity
B	0004108	molecular_function	citrate (Si)-synthase activity
B	0005737	cellular_component	cytoplasm
B	0005975	biological_process	carbohydrate metabolic process
B	0006099	biological_process	tricarboxylic acid cycle
B	0016740	molecular_function	transferase activity
B	0019679	biological_process	propionate metabolic process, methylcitrate cycle
B	0036440	molecular_function	citrate synthase activity
B	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
B	0050440	molecular_function	2-methylcitrate synthase activity
C	0004108	molecular_function	citrate (Si)-synthase activity
C	0005737	cellular_component	cytoplasm
C	0005975	biological_process	carbohydrate metabolic process
C	0006099	biological_process	tricarboxylic acid cycle
C	0016740	molecular_function	transferase activity
C	0019679	biological_process	propionate metabolic process, methylcitrate cycle
C	0036440	molecular_function	citrate synthase activity
C	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
C	0050440	molecular_function	2-methylcitrate synthase activity
D	0004108	molecular_function	citrate (Si)-synthase activity
D	0005737	cellular_component	cytoplasm
D	0005975	biological_process	carbohydrate metabolic process
D	0006099	biological_process	tricarboxylic acid cycle
D	0016740	molecular_function	transferase activity
D	0019679	biological_process	propionate metabolic process, methylcitrate cycle
D	0036440	molecular_function	citrate synthase activity
D	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
D	0050440	molecular_function	2-methylcitrate synthase activity
E	0004108	molecular_function	citrate (Si)-synthase activity
E	0005737	cellular_component	cytoplasm
E	0005975	biological_process	carbohydrate metabolic process
E	0006099	biological_process	tricarboxylic acid cycle
E	0016740	molecular_function	transferase activity
E	0019679	biological_process	propionate metabolic process, methylcitrate cycle
E	0036440	molecular_function	citrate synthase activity
E	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
E	0050440	molecular_function	2-methylcitrate synthase activity
F	0004108	molecular_function	citrate (Si)-synthase activity
F	0005737	cellular_component	cytoplasm
F	0005975	biological_process	carbohydrate metabolic process
F	0006099	biological_process	tricarboxylic acid cycle
F	0016740	molecular_function	transferase activity
F	0019679	biological_process	propionate metabolic process, methylcitrate cycle
F	0036440	molecular_function	citrate synthase activity
F	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
F	0050440	molecular_function	2-methylcitrate synthase activity
G	0004108	molecular_function	citrate (Si)-synthase activity
G	0005737	cellular_component	cytoplasm
G	0005975	biological_process	carbohydrate metabolic process
G	0006099	biological_process	tricarboxylic acid cycle
G	0016740	molecular_function	transferase activity
G	0019679	biological_process	propionate metabolic process, methylcitrate cycle
G	0036440	molecular_function	citrate synthase activity
G	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
G	0050440	molecular_function	2-methylcitrate synthase activity
H	0004108	molecular_function	citrate (Si)-synthase activity
H	0005737	cellular_component	cytoplasm
H	0005975	biological_process	carbohydrate metabolic process
H	0006099	biological_process	tricarboxylic acid cycle
H	0016740	molecular_function	transferase activity
H	0019679	biological_process	propionate metabolic process, methylcitrate cycle
H	0036440	molecular_function	citrate synthase activity
H	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
H	0050440	molecular_function	2-methylcitrate synthase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SIN A 401

Chain	Residue
A	HIS207
A	ASN210
A	HIS242
A	HIS281
A	ARG290
A	ARG357
A	HOH444
A	HOH484
B	ARG376

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SIN A 402

Chain	Residue
A	SER43
A	LYS44
A	LEU52
A	HIS207
A	GLY208
A	HOH417
A	HOH428
B	ARG376

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SIN A 403

Chain	Residue
A	GLY280
A	HIS281
A	ARG282

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SIN A 404

Chain	Residue
A	ARG77
A	ARG92
A	ARG141
A	MET145

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SIN B 405

Chain	Residue
A	ARG376
B	HIS207
B	ASN210
B	HIS242
B	HIS281
B	ARG290
B	ARG357
B	HOH404
B	HOH536
B	HOH597

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SIN B 406

Chain	Residue
A	ARG376
B	SER43
B	LYS44
B	VAL45
B	LEU52
B	HIS207
B	GLY208
B	VAL283
B	HOH484
B	HOH952
B	HOH953

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SIN C 407

Chain	Residue
C	HIS207
C	ASN210
C	HIS242
C	HIS281
C	ARG290
C	ARG357
C	HOH431
C	HOH936
D	ARG376

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SIN C 408

Chain	Residue
C	ARG77
C	ARG92
C	ARG141
C	MET145
C	HOH959

site_id	AC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SIN D 409

Chain	Residue
C	ARG376
D	HIS207
D	ASN210
D	HIS242
D	HIS281
D	ARG290
D	PHE353
D	ARG357
D	HOH417
D	HOH444
D	HOH466

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SIN D 410

Chain	Residue
C	ARG376
D	SER43
D	LYS44
D	VAL45
D	LEU52
D	HIS207
D	GLY208
D	HOH474

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SIN E 416

Chain	Residue
E	HIS207
E	ASN210
E	HIS242
E	HIS281
E	ARG290
E	ARG357
E	HOH402
E	HOH415
F	ARG376

site_id	BC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SIN F 411

Chain	Residue
E	ARG376
F	HIS207
F	ASN210
F	HIS242
F	HIS281
F	ARG290
F	PHE353
F	ARG357
F	HOH452
F	HOH534
F	HOH938

site_id	BC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SIN F 412

Chain	Residue
F	SER43
F	LYS44
F	VAL45
F	LEU52
F	HIS207
F	GLY208
F	HOH424
F	HOH449
F	HOH939
E	ARG376

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SIN G 413

Chain	Residue
G	HIS207
G	ASN210
G	HIS242
G	HIS281
G	ARG290
G	ARG357
G	HOH429
H	ARG376

site_id	BC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SIN G 414

Chain	Residue
G	SER43
G	LYS44
G	VAL45
G	LEU52
G	HIS207
G	GLY208
G	HOH921
G	HOH940
H	ARG376

site_id	BC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SIN H 415

Chain	Residue
G	ARG376
H	HIS207
H	ASN210
H	HIS242
H	HIS281
H	ARG290
H	PHE353
H	ARG357
H	HOH934

Functional Information from PROSITE/UniProt

site_id	PS00480
Number of Residues	13
Details	CITRATE_SYNTHASE Citrate synthase signature. GFGHrVy.RhgDSR

Chain	Residue	Details
A	GLY278-ARG290

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	ACT_SITE: ACT_SITE => ECO:0000250\|UniProtKB:O34002

Chain	Residue	Details
A	HIS242
E	ASP332
F	HIS242
F	ASP332
G	HIS242
G	ASP332
H	HIS242
H	ASP332
A	ASP332
B	HIS242
B	ASP332
C	HIS242
C	ASP332
D	HIS242
D	ASP332
E	HIS242

site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: ACT_SITE => ECO:0000269\|Ref.8

Chain	Residue	Details
A	HIS281
B	HIS281
C	HIS281
D	HIS281
E	HIS281
F	HIS281
G	HIS281
H	HIS281

site_id	SWS_FT_FI3
Number of Residues	40
Details	BINDING: BINDING => ECO:0000269\|Ref.8

Chain	Residue	Details
A	ARG92
B	ARG376
C	ARG92
C	HIS207
C	ARG290
C	ARG357
C	ARG376
D	ARG92
D	HIS207
D	ARG290
D	ARG357
A	HIS207
D	ARG376
E	ARG92
E	HIS207
E	ARG290
E	ARG357
E	ARG376
F	ARG92
F	HIS207
F	ARG290
F	ARG357
A	ARG290
F	ARG376
G	ARG92
G	HIS207
G	ARG290
G	ARG357
G	ARG376
H	ARG92
H	HIS207
H	ARG290
H	ARG357
A	ARG357
H	ARG376
A	ARG376
B	ARG92
B	HIS207
B	ARG290
B	ARG357

site_id	SWS_FT_FI4
Number of Residues	8
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:O34002

Chain	Residue	Details
A	LYS275
B	LYS275
C	LYS275
D	LYS275
E	LYS275
F	LYS275
G	LYS275
H	LYS275

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
A	HIS242
A	HIS281
A	ASP332

site_id	CSA10
Number of Residues	4
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
B	SER212
B	HIS242
B	HIS281
B	ASP332

site_id	CSA11
Number of Residues	4
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
C	SER212
C	HIS242
C	HIS281
C	ASP332

site_id	CSA12
Number of Residues	4
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
D	SER212
D	HIS242
D	HIS281
D	ASP332

site_id	CSA13
Number of Residues	4
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
E	SER212
E	HIS242
E	HIS281
E	ASP332

site_id	CSA14
Number of Residues	4
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
F	SER212
F	HIS242
F	HIS281
F	ASP332

site_id	CSA15
Number of Residues	4
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
G	SER212
G	HIS242
G	HIS281
G	ASP332

site_id	CSA16
Number of Residues	4
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
H	SER212
H	HIS242
H	HIS281
H	ASP332

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
B	HIS242
B	HIS281
B	ASP332

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
C	HIS242
C	HIS281
C	ASP332

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
D	HIS242
D	HIS281
D	ASP332

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
E	HIS242
E	HIS281
E	ASP332

site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
F	HIS242
F	HIS281
F	ASP332

site_id	CSA7
Number of Residues	3
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
G	HIS242
G	HIS281
G	ASP332

site_id	CSA8
Number of Residues	3
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
H	HIS242
H	HIS281
H	ASP332

site_id	CSA9
Number of Residues	4
Details	Annotated By Reference To The Literature 1aj8

Chain	Residue	Details
A	SER212
A	HIS242
A	HIS281
A	ASP332

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