Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4QRO

CRYSTAL STRUCTURE of DIHYDROXYBENZOIC ACID DECARBBOXYLASE BPRO_2061 (TARGET EFI-500288) FROM POLAROMONAS SP. JS666 WITH BOUND MANGANESE AND AN INHIBITOR, 2-NITRORESORCINOL

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0016787	molecular_function	hydrolase activity
A	0016831	molecular_function	carboxy-lyase activity
A	0019748	biological_process	secondary metabolic process
A	0046872	molecular_function	metal ion binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0016787	molecular_function	hydrolase activity
B	0016831	molecular_function	carboxy-lyase activity
B	0019748	biological_process	secondary metabolic process
B	0046872	molecular_function	metal ion binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0016787	molecular_function	hydrolase activity
C	0016831	molecular_function	carboxy-lyase activity
C	0019748	biological_process	secondary metabolic process
C	0046872	molecular_function	metal ion binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0016787	molecular_function	hydrolase activity
D	0016831	molecular_function	carboxy-lyase activity
D	0019748	biological_process	secondary metabolic process
D	0046872	molecular_function	metal ion binding
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0016787	molecular_function	hydrolase activity
E	0016831	molecular_function	carboxy-lyase activity
E	0019748	biological_process	secondary metabolic process
E	0046872	molecular_function	metal ion binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0016787	molecular_function	hydrolase activity
F	0016831	molecular_function	carboxy-lyase activity
F	0019748	biological_process	secondary metabolic process
F	0046872	molecular_function	metal ion binding
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0016787	molecular_function	hydrolase activity
G	0016831	molecular_function	carboxy-lyase activity
G	0019748	biological_process	secondary metabolic process
G	0046872	molecular_function	metal ion binding
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0016787	molecular_function	hydrolase activity
H	0016831	molecular_function	carboxy-lyase activity
H	0019748	biological_process	secondary metabolic process
H	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 401

Chain	Residue
A	THR54
A	PRO92
A	THR93
A	ARG94
A	PHE95
A	ARG96
A	LEU324
A	ASN329

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE GOL A 402

Chain	Residue
A	TRP299
A	ASN302
A	THR303
A	SER304
A	HOH517
A	HOH531
A	HOH569
A	HOH614
A	HOH782
D	THR267
D	TRP299
D	ASN302
D	THR303
D	SER304
D	HOH518
A	THR267

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN A 403

Chain	Residue
A	GLU8
A	HIS10
A	HIS164
A	ASP287
A	38L405

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT A 404

Chain	Residue
A	TRP288
A	ASN292
A	ILE293
A	ASP294
A	HOH783

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 38L A 405

Chain	Residue
A	GLU8
A	HIS10
A	HIS164
A	PRO185
A	HIS218
A	ASP287
A	PHE290
A	MN403
A	HOH556
A	HOH604
B	ARG229
B	ASN234

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL B 401

Chain	Residue
B	THR267
B	TRP299
B	SER304
B	HOH515
B	HOH521
B	HOH550
B	HOH708
C	THR267
C	TRP299
C	SER304

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN B 402

Chain	Residue
B	GLU8
B	HIS10
B	HIS164
B	ASP287
B	38L404

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT B 403

Chain	Residue
B	TRP288
B	ASN292
B	ILE293
B	ASP294
B	HOH501

site_id	AC9
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 38L B 404

Chain	Residue
A	ARG229
A	ASN234
B	GLU8
B	HIS10
B	HIS164
B	PRO185
B	PHE189
B	HIS218
B	ASP287
B	PHE290
B	MN402
B	HOH520
B	HOH562

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 401

Chain	Residue
C	GLY3
C	MET47
C	ASP48
C	ILE52
C	GLU53
C	ARG94

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN C 402

Chain	Residue
C	GLU8
C	HIS10
C	HIS164
C	ASP287
C	38L405

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT C 403

Chain	Residue
C	ARG42
C	LEU46
C	TRP288
C	ASN292
C	ILE293
C	ASP294

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT C 404

Chain	Residue
C	GLN87
C	HOH586
C	LEU37
C	ILE39
C	GLN40

site_id	BC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 38L C 405

Chain	Residue
C	GLU8
C	HIS10
C	HIS164
C	PRO185
C	HIS218
C	ASP287
C	PHE290
C	MN402
C	HOH519
C	HOH570
D	ARG229
D	ASN234

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN D 401

Chain	Residue
D	GLU8
D	HIS10
D	HIS164
D	ASP287
D	38L403

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT D 402

Chain	Residue
D	LEU46
D	TRP288
D	ASN292
D	ILE293
D	ASP294
D	HOH689

site_id	BC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 38L D 403

Chain	Residue
C	ARG229
C	ASN234
D	GLU8
D	HIS10
D	HIS164
D	PRO185
D	HIS218
D	ASP287
D	PHE290
D	MN401
D	HOH582
D	HOH616

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN E 401

Chain	Residue
E	GLU8
E	HIS10
E	HIS164
E	ASP287
E	38L404

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT E 402

Chain	Residue
E	LEU46
E	ASN292
E	ILE293
E	ASP294
E	HOH731

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT E 403

Chain	Residue
E	ASP172
E	TYR176
E	GLN191
E	HOH616
F	GLN191
F	HOH605

site_id	CC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 38L E 404

Chain	Residue
E	GLU8
E	HIS10
E	HIS164
E	PRO185
E	HIS218
E	ASP287
E	PHE290
E	MN401
E	HOH583
E	HOH584
F	ARG229
F	ASN234

site_id	CC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE GOL F 401

Chain	Residue
F	THR267
F	TRP299
F	ASN302
F	THR303
F	SER304
F	HOH506
F	HOH510
F	HOH524
F	HOH581
G	THR267
G	TRP299
G	ASN302
G	THR303
G	SER304
G	HOH537

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN F 402

Chain	Residue
F	GLU8
F	HIS10
F	HIS164
F	ASP287
F	38L404

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT F 403

Chain	Residue
F	LEU46
F	ASN292
F	ILE293
F	ASP294
F	HOH763

site_id	CC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 38L F 404

Chain	Residue
E	ARG229
E	ASN234
F	GLU8
F	HIS10
F	HIS164
F	PRO185
F	HIS218
F	ASP287
F	PHE290
F	MN402
F	HOH543
F	HOH582

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN G 401

Chain	Residue
G	GLU8
G	HIS10
G	HIS164
G	ASP287
G	38L403

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT G 402

Chain	Residue
G	LEU46
G	ASN292
G	ILE293
G	ASP294
G	HOH762

site_id	DC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 38L G 403

Chain	Residue
G	GLU8
G	HIS10
G	HIS164
G	PRO185
G	HIS218
G	ASP287
G	PHE290
G	MN401
G	HOH516
G	HOH735
H	ARG229
H	ASN234

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BCT G 404

Chain	Residue
G	ASP172
G	GLN191
G	HOH575
H	GLN191
H	HOH588
H	HOH775

site_id	DC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE GOL H 401

Chain	Residue
E	THR267
E	TRP299
E	ASN302
E	SER304
H	THR267
H	TRP299
H	ASN302
H	THR303
H	SER304
H	HOH510
H	HOH540
H	HOH541
H	HOH553
H	HOH576
H	HOH783

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN H 402

Chain	Residue
H	GLU8
H	HIS10
H	HIS164
H	ASP287
H	38L405

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT H 403

Chain	Residue
H	ASN292
H	ILE293
H	ASP294
H	HOH501

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT H 404

Chain	Residue
G	ARG174
H	PRO139
H	SER171
H	ASP172
H	HOH773

site_id	DC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 38L H 405

Chain	Residue
G	ARG229
G	ASN234
H	GLU8
H	HIS10
H	HIS164
H	PRO185
H	HIS218
H	ASP287
H	PHE290
H	MN402
H	HOH595
H	HOH608

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: ACT_SITE => ECO:0000303\|PubMed:29283551

Chain	Residue	Details
A	ASP287
B	ASP287
C	ASP287
D	ASP287
E	ASP287
F	ASP287
G	ASP287
H	ASP287

site_id	SWS_FT_FI2
Number of Residues	32
Details	BINDING: BINDING => ECO:0000269\|PubMed:29283551, ECO:0007744\|PDB:4QRO

Chain	Residue	Details
A	GLU8
C	HIS10
C	HIS164
C	ASP287
D	GLU8
D	HIS10
D	HIS164
D	ASP287
E	GLU8
E	HIS10
E	HIS164
A	HIS10
E	ASP287
F	GLU8
F	HIS10
F	HIS164
F	ASP287
G	GLU8
G	HIS10
G	HIS164
G	ASP287
H	GLU8
A	HIS164
H	HIS10
H	HIS164
H	ASP287
A	ASP287
B	GLU8
B	HIS10
B	HIS164
B	ASP287
C	GLU8

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 992

Chain	Residue	Details
G	GLU8	metal ligand
G	HIS10	metal ligand
G	HIS164	metal ligand
G	ASP287	metal ligand, proton donor

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