Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4RJJ

Acetolactate synthase from Bacillus subtilis bound to ThDP - crystal form II

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0003824	molecular_function	catalytic activity
A	0003984	molecular_function	acetolactate synthase activity
A	0030976	molecular_function	thiamine pyrophosphate binding
A	0034077	biological_process	butanediol metabolic process
B	0000287	molecular_function	magnesium ion binding
B	0003824	molecular_function	catalytic activity
B	0003984	molecular_function	acetolactate synthase activity
B	0030976	molecular_function	thiamine pyrophosphate binding
B	0034077	biological_process	butanediol metabolic process
C	0000287	molecular_function	magnesium ion binding
C	0003824	molecular_function	catalytic activity
C	0003984	molecular_function	acetolactate synthase activity
C	0030976	molecular_function	thiamine pyrophosphate binding
C	0034077	biological_process	butanediol metabolic process
D	0000287	molecular_function	magnesium ion binding
D	0003824	molecular_function	catalytic activity
D	0003984	molecular_function	acetolactate synthase activity
D	0030976	molecular_function	thiamine pyrophosphate binding
D	0034077	biological_process	butanediol metabolic process
E	0000287	molecular_function	magnesium ion binding
E	0003824	molecular_function	catalytic activity
E	0003984	molecular_function	acetolactate synthase activity
E	0030976	molecular_function	thiamine pyrophosphate binding
E	0034077	biological_process	butanediol metabolic process
F	0000287	molecular_function	magnesium ion binding
F	0003824	molecular_function	catalytic activity
F	0003984	molecular_function	acetolactate synthase activity
F	0030976	molecular_function	thiamine pyrophosphate binding
F	0034077	biological_process	butanediol metabolic process
G	0000287	molecular_function	magnesium ion binding
G	0003824	molecular_function	catalytic activity
G	0003984	molecular_function	acetolactate synthase activity
G	0030976	molecular_function	thiamine pyrophosphate binding
G	0034077	biological_process	butanediol metabolic process
H	0000287	molecular_function	magnesium ion binding
H	0003824	molecular_function	catalytic activity
H	0003984	molecular_function	acetolactate synthase activity
H	0030976	molecular_function	thiamine pyrophosphate binding
H	0034077	biological_process	butanediol metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPP A 601

Chain	Residue
A	ILE398
A	GLY453
A	ASP478
A	THR480
A	TYR481
A	ASP482
A	MET483
A	VAL484
A	TYR547
A	MG602
A	HOH768
A	GLY399
A	HOH861
B	PRO37
B	GLU61
B	PRO87
B	ASN91
B	GLN124
A	SER400
A	HIS401
A	GLN424
A	LEU426
A	GLY450
A	ASP451
A	GLY452

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 602

Chain	Residue
A	ASP451
A	ASP478
A	THR480
A	TPP601
A	HOH861

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PG4 A 603

Chain	Residue
A	GLY72
A	ARG73
A	THR75
A	GLY76
A	SER160
A	ALA164
A	ARG224
A	PRO225
A	HOH868

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 A 604

Chain	Residue
A	ASN386
A	ASP389
A	ASP390
H	LYS207
H	THR304

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 A 605

Chain	Residue
A	THR101
A	GLN163
A	ASP314
A	HOH851
B	ARG121

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 A 606

Chain	Residue
A	LEU74
A	HIS391
A	VAL439
A	LYS440
A	GLU443

site_id	AC7
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPP B 601

Chain	Residue
A	PRO37
A	GLU61
A	PRO87
A	ASN91
A	GLN124
B	ILE398
B	GLY399
B	SER400
B	HIS401
B	GLN424
B	LEU426
B	GLY450
B	ASP451
B	GLY452
B	GLY453
B	ASP478
B	THR480
B	TYR481
B	ASP482
B	MET483
B	VAL484
B	TYR547
B	MG602
B	HOH786
B	HOH907

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 602

Chain	Residue
B	ASP451
B	ASP478
B	THR480
B	TPP601
B	HOH907

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PG4 B 603

Chain	Residue
B	GLY72
B	ARG73
B	THR75
B	GLY76
B	PRO105
B	SER160
B	ARG224
B	PRO225
B	HOH917

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 B 604

Chain	Residue
B	THR393
B	PRO414
B	LEU415
B	VAL439
B	LYS440

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PG4 B 605

Chain	Residue
B	LYS207
B	ASP322
B	HOH842
B	ALA203

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PG4 B 606

Chain	Residue
B	PRO225
B	GLU226
B	LYS229
B	ARG232
B	GLU413
B	PRO414
C	HIS391

site_id	BC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPP C 601

Chain	Residue
C	ILE398
C	GLY399
C	SER400
C	HIS401
C	GLN424
C	LEU426
C	GLY450
C	ASP451
C	GLY452
C	GLY453
C	ASP478
C	THR480
C	TYR481
C	ASP482
C	MET483
C	VAL484
C	TYR547
C	MG602
C	HOH808
C	HOH931
D	PRO37
D	GLU61
D	PRO87
D	ASN91
D	GLN124

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 602

Chain	Residue
C	ASP451
C	ASP478
C	THR480
C	TPP601
C	HOH931

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PG4 C 603

Chain	Residue
C	ALA203
C	LYS207
C	ASP322
C	HOH866

site_id	BC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PG4 C 604

Chain	Residue
C	LEU74
C	HIS391
C	GLU413
C	PRO414
C	LEU415
C	THR416
C	VAL439
C	LYS440
C	HOH973

site_id	BC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PG4 C 605

Chain	Residue
C	GLY72
C	ARG73
C	THR75
C	GLY76
C	PRO105
C	SER160
C	ARG224
C	PRO225
C	HOH878
C	HOH886

site_id	BC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PG4 C 606

Chain	Residue
C	ALA39
C	GLN124
C	HOH783
C	HOH969
C	HOH975
D	LEU266
D	GLN424
D	MET483
D	GLN487
D	TPP601

site_id	CC1
Number of Residues	26
Details	BINDING SITE FOR RESIDUE TPP D 601

Chain	Residue
C	PRO37
C	GLU61
C	PRO87
C	ASN91
C	GLN124
C	PG4606
D	ILE398
D	GLY399
D	SER400
D	HIS401
D	GLN424
D	LEU426
D	GLY450
D	ASP451
D	GLY452
D	GLY453
D	ASP478
D	THR480
D	TYR481
D	ASP482
D	MET483
D	VAL484
D	TYR547
D	MG602
D	HOH814
D	HOH898

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 602

Chain	Residue
D	ASP451
D	ASP478
D	THR480
D	TPP601
D	HOH898

site_id	CC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PG4 D 603

Chain	Residue
D	ARG254
D	ASN386
D	VAL388
D	ASP389
D	ASP390
E	ALA203
E	LYS207
E	THR304
E	ASP322

site_id	CC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PG4 D 604

Chain	Residue
D	GLU27
D	HOH943
E	GLY442
E	LYS444
E	PRO470
E	ASN534
E	HOH896

site_id	CC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PG4 D 605

Chain	Residue
D	GLY442
D	GLU443
D	LYS444
D	PRO470
D	ASN534
D	ALA535
D	GLU536
D	HOH857
D	HOH901
E	GLU27

site_id	CC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PG4 D 606

Chain	Residue
D	ALA206
D	LYS207
D	THR210
D	THR304
D	ASP322
H	ASN386
H	VAL388
H	ASP389
H	ASP390

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PG4 D 607

Chain	Residue
D	LEU74
D	VAL439
D	LYS440
D	GLU443

site_id	CC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT D 608

Chain	Residue
D	ARG73
D	GLY76

site_id	CC9
Number of Residues	26
Details	BINDING SITE FOR RESIDUE TPP E 601

Chain	Residue
E	ILE398
E	GLY399
E	SER400
E	HIS401
E	GLN424
E	LEU426
E	GLY450
E	ASP451
E	GLY452
E	GLY453
E	ASP478
E	THR480
E	TYR481
E	ASP482
E	MET483
E	VAL484
E	TYR547
E	MG602
E	PG4604
E	HOH792
E	HOH899
F	PRO37
F	GLU61
F	PRO87
F	ASN91
F	GLN124

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG E 602

Chain	Residue
E	ASP451
E	ASP478
E	THR480
E	TPP601
E	HOH899

site_id	DC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PG4 E 603

Chain	Residue
A	ALA203
A	LYS207
A	THR304
A	ASP322
A	LEU323
E	ASN386
E	ALA387
E	VAL388
E	ASP389
E	ASP390

site_id	DC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PG4 E 604

Chain	Residue
E	GLN424
E	MET483
E	GLN487
E	TPP601
E	HOH838
F	ALA39
F	HOH793

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 E 605

Chain	Residue
E	LEU74
E	PRO225
E	VAL439
E	LYS440
E	GLU443

site_id	DC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PG4 E 606

Chain	Residue
E	ASN100
E	THR101
E	GLN163
E	ASP288
E	ILE290
E	ILE311
E	HOH722
F	ARG121

site_id	DC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PG4 E 607

Chain	Residue
E	GLU364
E	LYS382
E	TYR408
E	ARG410

site_id	DC7
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPP F 601

Chain	Residue
E	PRO37
E	GLU61
E	PRO87
E	ASN91
E	GLN124
F	ILE398
F	GLY399
F	SER400
F	HIS401
F	GLN424
F	LEU426
F	GLY450
F	ASP451
F	GLY452
F	GLY453
F	ASP478
F	THR480
F	TYR481
F	ASP482
F	MET483
F	VAL484
F	TYR547
F	MG602
F	HOH756
F	HOH915

site_id	DC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG F 602

Chain	Residue
F	ASP451
F	ASP478
F	THR480
F	TPP601
F	HOH915

site_id	DC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PG4 F 603

Chain	Residue
F	ALA203
F	LYS207
F	THR304
F	ASP322

site_id	EC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PG4 F 604

Chain	Residue
F	GLY72
F	ARG73
F	LEU74
F	THR75
F	GLY76
F	SER160
F	ALA164
F	ARG224
F	PRO225
F	LEU415
F	PG4605
F	HOH797

site_id	EC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PG4 F 605

Chain	Residue
F	LEU74
F	LEU415
F	VAL439
F	LYS440
F	PG4604
F	HOH952

site_id	EC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPP G 601

Chain	Residue
G	ILE398
G	GLY399
G	SER400
G	HIS401
G	GLN424
G	LEU426
G	GLY450
G	ASP451
G	GLY452
G	GLY453
G	ASP478
G	THR480
G	TYR481
G	ASP482
G	MET483
G	VAL484
G	TYR547
G	MG602
G	HOH781
G	HOH890
H	PRO37
H	GLU61
H	PRO87
H	ASN91
H	GLN124

site_id	EC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG G 602

Chain	Residue
G	ASP451
G	ASP478
G	THR480
G	TPP601
G	HOH890

site_id	EC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PG4 G 603

Chain	Residue
G	ARG73
G	THR75
G	GLY76
G	PRO105
G	SER160
G	ARG224

site_id	EC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 G 604

Chain	Residue
G	ALA203
G	LYS207
G	THR304
G	ASP322
G	HOH749

site_id	EC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PG4 G 605

Chain	Residue
G	THR393
G	LEU415
G	VAL439
G	LYS440
G	GLU443
G	HOH928

site_id	EC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PG4 G 606

Chain	Residue
G	GLU364
G	LYS382
G	TYR408
G	ARG410

site_id	EC9
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPP H 601

Chain	Residue
G	PRO37
G	GLU61
G	PRO87
G	ASN91
G	GLN124
H	ILE398
H	GLY399
H	SER400
H	HIS401
H	GLN424
H	LEU426
H	GLY450
H	ASP451
H	GLY452
H	GLY453
H	ASP478
H	THR480
H	TYR481
H	ASP482
H	MET483
H	VAL484
H	TYR547
H	MG602
H	HOH762
H	HOH785

site_id	FC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG H 602

Chain	Residue
H	ASP451
H	ASP478
H	THR480
H	TPP601
H	HOH762

site_id	FC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 H 603

Chain	Residue
G	ARG121
G	SER125
H	ASN100
H	PRO134
H	ILE135

site_id	FC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PG4 H 604

Chain	Residue
H	LEU74
H	LYS440
H	GLU443
H	HOH790

site_id	FC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PG4 H 605

Chain	Residue
H	GLY72
H	ARG73
H	THR75
H	GLY76
H	SER160
H	ARG224

Functional Information from PROSITE/UniProt

site_id	PS00187
Number of Residues	20
Details	TPP_ENZYMES Thiamine pyrophosphate enzymes signature. IGaslvkPgekvVsVsGDGG

Chain	Residue	Details
A	ILE434-GLY453

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