Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2WVA

Structural insights into the pre-reaction state of pyruvate decarboxylase from Zymomonas mobilis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0000949	biological_process	aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
A	0003824	molecular_function	catalytic activity
A	0004737	molecular_function	pyruvate decarboxylase activity
A	0005829	cellular_component	cytosol
A	0016831	molecular_function	carboxy-lyase activity
A	0019752	biological_process	carboxylic acid metabolic process
A	0030976	molecular_function	thiamine pyrophosphate binding
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0000949	biological_process	aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
B	0003824	molecular_function	catalytic activity
B	0004737	molecular_function	pyruvate decarboxylase activity
B	0005829	cellular_component	cytosol
B	0016831	molecular_function	carboxy-lyase activity
B	0019752	biological_process	carboxylic acid metabolic process
B	0030976	molecular_function	thiamine pyrophosphate binding
B	0046872	molecular_function	metal ion binding
E	0000287	molecular_function	magnesium ion binding
E	0000949	biological_process	aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
E	0003824	molecular_function	catalytic activity
E	0004737	molecular_function	pyruvate decarboxylase activity
E	0005829	cellular_component	cytosol
E	0016831	molecular_function	carboxy-lyase activity
E	0019752	biological_process	carboxylic acid metabolic process
E	0030976	molecular_function	thiamine pyrophosphate binding
E	0046872	molecular_function	metal ion binding
F	0000287	molecular_function	magnesium ion binding
F	0000949	biological_process	aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
F	0003824	molecular_function	catalytic activity
F	0004737	molecular_function	pyruvate decarboxylase activity
F	0005829	cellular_component	cytosol
F	0016831	molecular_function	carboxy-lyase activity
F	0019752	biological_process	carboxylic acid metabolic process
F	0030976	molecular_function	thiamine pyrophosphate binding
F	0046872	molecular_function	metal ion binding
V	0000287	molecular_function	magnesium ion binding
V	0000949	biological_process	aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
V	0003824	molecular_function	catalytic activity
V	0004737	molecular_function	pyruvate decarboxylase activity
V	0005829	cellular_component	cytosol
V	0016831	molecular_function	carboxy-lyase activity
V	0019752	biological_process	carboxylic acid metabolic process
V	0030976	molecular_function	thiamine pyrophosphate binding
V	0046872	molecular_function	metal ion binding
X	0000287	molecular_function	magnesium ion binding
X	0000949	biological_process	aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
X	0003824	molecular_function	catalytic activity
X	0004737	molecular_function	pyruvate decarboxylase activity
X	0005829	cellular_component	cytosol
X	0016831	molecular_function	carboxy-lyase activity
X	0019752	biological_process	carboxylic acid metabolic process
X	0030976	molecular_function	thiamine pyrophosphate binding
X	0046872	molecular_function	metal ion binding
Y	0000287	molecular_function	magnesium ion binding
Y	0000949	biological_process	aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
Y	0003824	molecular_function	catalytic activity
Y	0004737	molecular_function	pyruvate decarboxylase activity
Y	0005829	cellular_component	cytosol
Y	0016831	molecular_function	carboxy-lyase activity
Y	0019752	biological_process	carboxylic acid metabolic process
Y	0030976	molecular_function	thiamine pyrophosphate binding
Y	0046872	molecular_function	metal ion binding
Z	0000287	molecular_function	magnesium ion binding
Z	0000949	biological_process	aromatic amino acid family catabolic process to alcohol via Ehrlich pathway
Z	0003824	molecular_function	catalytic activity
Z	0004737	molecular_function	pyruvate decarboxylase activity
Z	0005829	cellular_component	cytosol
Z	0016831	molecular_function	carboxy-lyase activity
Z	0019752	biological_process	carboxylic acid metabolic process
Z	0030976	molecular_function	thiamine pyrophosphate binding
Z	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE TPU A 600

Chain	Residue
A	GLY389
A	ASN467
A	GLY469
A	TYR470
A	THR471
A	ILE472
A	GLU473
A	MG601
A	HOH2307
A	HOH2332
A	HOH2388
A	ASP390
B	ALA25
B	GLY26
B	GLU50
B	VAL75
B	HIS114
A	GLY413
A	HIS414
A	ILE415
A	GLY439
A	ASP440
A	GLY441
A	SER442

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 601

Chain	Residue
A	ASP440
A	ASN467
A	GLY469
A	TPU600
A	HOH2332

site_id	AC3
Number of Residues	24
Details	BINDING SITE FOR RESIDUE TPU B 600

Chain	Residue
A	ALA25
A	GLY26
A	GLU50
A	VAL75
A	HIS114
B	GLY389
B	ASP390
B	GLY413
B	HIS414
B	ILE415
B	GLY439
B	ASP440
B	GLY441
B	SER442
B	ASN467
B	GLY469
B	TYR470
B	THR471
B	ILE472
B	GLU473
B	MG601
B	HOH2231
B	HOH2292
B	HOH2293

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 601

Chain	Residue
B	ASP440
B	ASN467
B	GLY469
B	TPU600
B	HOH2293

site_id	AC5
Number of Residues	24
Details	BINDING SITE FOR RESIDUE TPU E 600

Chain	Residue
E	GLY389
E	ASP390
E	GLY413
E	HIS414
E	ILE415
E	GLY439
E	ASP440
E	GLY441
E	SER442
E	ASN467
E	GLY469
E	TYR470
E	THR471
E	ILE472
E	GLU473
E	MG601
E	HOH2238
E	HOH2246
E	HOH2294
E	HOH2295
F	ALA25
F	GLU50
F	VAL75
F	HIS114

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG E 601

Chain	Residue
E	ASP440
E	ASN467
E	GLY469
E	TPU600
E	HOH2246

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG F 569

Chain	Residue
F	ASP440
F	ASN467
F	GLY469
F	TPU600
F	HOH2332

site_id	AC8
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPU F 600

Chain	Residue
F	GLY413
F	HIS414
F	ILE415
F	GLY439
F	ASP440
F	GLY441
F	SER442
F	ASN467
F	GLY469
F	TYR470
F	THR471
F	ILE472
F	GLU473
F	MG569
F	PYR602
F	HOH2266
F	HOH2332
F	HOH2333
E	ALA25
E	GLY26
E	GLU50
E	VAL75
E	HIS114
F	GLY389
F	ASP390

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PYR F 602

Chain	Residue
E	ASP27
E	HIS114
E	HOH2043
F	TYR290
F	ILE472
F	GLU473
F	ILE476
F	TPU600
F	HOH2334

site_id	BC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPU V 600

Chain	Residue
V	GLY389
V	ASP390
V	GLY413
V	HIS414
V	ILE415
V	GLY439
V	ASP440
V	GLY441
V	SER442
V	ASN467
V	GLY469
V	TYR470
V	THR471
V	ILE472
V	GLU473
V	MG601
V	HOH2266
V	HOH2276
V	HOH2344
Z	ALA25
Z	GLY26
Z	GLU50
Z	VAL75
Z	HIS114
Z	PYR602

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG V 601

Chain	Residue
V	GLY439
V	ASP440
V	ILE465
V	ASN467
V	TPU600

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PYR V 602

Chain	Residue
V	ASP27
V	HIS114
V	HOH2052
Z	TYR290
Z	ILE472
Z	GLU473
Z	ILE476
Z	TPU600

site_id	BC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE TPU X 600

Chain	Residue
X	GLY389
X	ASP390
X	GLY413
X	HIS414
X	ILE415
X	GLY439
X	ASP440
X	GLY441
X	SER442
X	ASN467
X	GLY469
X	TYR470
X	THR471
X	ILE472
X	GLU473
X	MG601
X	HOH2272
X	HOH2292
X	HOH2301
X	HOH2357
Y	ALA25
Y	GLY26
Y	GLU50
Y	VAL75
Y	HIS114

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG X 601

Chain	Residue
X	ASP440
X	ASN467
X	GLY469
X	TPU600
X	HOH2301

site_id	BC6
Number of Residues	24
Details	BINDING SITE FOR RESIDUE TPU Y 600

Chain	Residue
X	ALA25
X	GLY26
X	GLU50
X	VAL75
X	HIS114
Y	GLY389
Y	ASP390
Y	GLY413
Y	HIS414
Y	ILE415
Y	GLY439
Y	ASP440
Y	GLY441
Y	SER442
Y	ASN467
Y	GLY469
Y	TYR470
Y	THR471
Y	ILE472
Y	GLU473
Y	MG601
Y	HOH2265
Y	HOH2274
Y	HOH2317

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG Y 601

Chain	Residue
Y	ASP440
Y	ASN467
Y	GLY469
Y	TPU600
Y	HOH2274

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG Z 569

Chain	Residue
Z	ASP440
Z	ASN467
Z	GLY469
Z	TPU600
Z	HOH2334

site_id	BC9
Number of Residues	24
Details	BINDING SITE FOR RESIDUE TPU Z 600

Chain	Residue
V	ALA25
V	GLY26
V	GLU50
V	VAL75
V	HIS114
V	PYR602
Z	GLY389
Z	ASP390
Z	GLY413
Z	HIS414
Z	ILE415
Z	GLY439
Z	ASP440
Z	GLY441
Z	SER442
Z	ASN467
Z	GLY469
Z	TYR470
Z	THR471
Z	ILE472
Z	GLU473
Z	MG569
Z	HOH2334
Z	HOH2335

site_id	CC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PYR Z 602

Chain	Residue
V	TYR290
V	GLU473
V	ILE476
V	TPU600
Z	GLY26
Z	ASP27
Z	HIS114
Z	HOH2064

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE423-SER442

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	ASP27
F	ASP27
F	HIS114
F	GLU473
V	ASP27
V	HIS114
V	GLU473
X	ASP27
X	HIS114
X	GLU473
Y	ASP27
A	HIS114
Y	HIS114
Y	GLU473
Z	ASP27
Z	HIS114
Z	GLU473
A	GLU473
B	ASP27
B	HIS114
B	GLU473
E	ASP27
E	HIS114
E	GLU473

site_id	SWS_FT_FI2
Number of Residues	32
Details	BINDING:

Chain	Residue	Details
A	GLU50
E	ASP440
E	ASN467
E	GLY469
F	GLU50
F	ASP440
F	ASN467
F	GLY469
V	GLU50
V	ASP440
V	ASN467
A	ASP440
V	GLY469
X	GLU50
X	ASP440
X	ASN467
X	GLY469
Y	GLU50
Y	ASP440
Y	ASN467
Y	GLY469
Z	GLU50
A	ASN467
Z	ASP440
Z	ASN467
Z	GLY469
A	GLY469
B	GLU50
B	ASP440
B	ASN467
B	GLY469
E	GLU50

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