Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4FI4

Crystal structure of mannonate dehydratase PRK15072 (TARGET EFI-502214) from Caulobacter sp. K31

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0008927	molecular_function	mannonate dehydratase activity
A	0009063	biological_process	amino acid catabolic process
A	0016052	biological_process	carbohydrate catabolic process
A	0016829	molecular_function	lyase activity
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0008927	molecular_function	mannonate dehydratase activity
B	0009063	biological_process	amino acid catabolic process
B	0016052	biological_process	carbohydrate catabolic process
B	0016829	molecular_function	lyase activity
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0008927	molecular_function	mannonate dehydratase activity
C	0009063	biological_process	amino acid catabolic process
C	0016052	biological_process	carbohydrate catabolic process
C	0016829	molecular_function	lyase activity
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 501

Chain	Residue
A	ASP211
A	GLU237
A	GLU263
A	HOH601
A	HOH898
A	HOH899

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 502

Chain	Residue
A	HIS213
A	GLU263
A	HIS313
A	ALA315
A	ASP317
A	HOH880
A	HOH898
A	ASN38
A	TYR76
A	TRP77

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 503

Chain	Residue
A	VAL9
A	ARG49
A	HOH615

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 504

Chain	Residue
A	LEU188
A	GLU220
A	ARG232
A	LEU233
A	PRO258
A	HOH620
A	HOH628
A	HOH641
A	HOH655

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 505

Chain	Residue
A	ILE129
A	HIS190

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 506

Chain	Residue
A	PRO241
A	GLU243
A	ASN244
A	ASP304
A	LEU305
A	HIS306
A	HIS307
A	HOH781
A	HOH802

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 507

Chain	Residue
A	TYR341
A	ASP349
A	HIS354
A	TYR356
A	SER357
A	TYR358
A	HOH836
C	GLU347
C	HOH864

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CL A 508

Chain	Residue
A	GLY80
A	GLY80
A	PRO81
A	PRO81
A	VAL82
A	VAL82
A	HOH785
A	HOH785

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 501

Chain	Residue
B	ASP211
B	GLU237
B	GLU263
B	HOH601
B	HOH602
B	HOH603

site_id	BC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GOL B 502

Chain	Residue
B	ASN38
B	HIS213
B	GLU263
B	HIS313
B	ALA315
B	ASP317
B	LEU390
B	TRP403
B	HOH602
B	HOH713
C	TYR76
C	TRP77

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 503

Chain	Residue
A	ARG137
B	THR128
B	ILE129

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 504

Chain	Residue
B	LEU188
B	GLU220
B	ARG232
B	LEU233
B	PRO258
B	HOH630
B	HOH632
B	HOH646
B	HOH703

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 505

Chain	Residue
B	PRO241
B	GLU243
B	ASN244
B	ASP304
B	LEU305
B	HIS306
B	HIS307
C	TRP269

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 506

Chain	Residue
B	TYR341
B	ASP349
B	HIS354
B	TYR356
B	TYR358

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 501

Chain	Residue
C	ASP211
C	GLU237
C	GLU263
C	HOH601
C	HOH602
C	HOH726

site_id	BC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C 502

Chain	Residue
C	PRO241
C	GLU243
C	ASN244
C	ASP304
C	LEU305
C	HIS306
C	HIS307
C	HOH688
C	HOH738

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C 503

Chain	Residue
B	TRP77
C	ASN38
C	TYR160
C	HIS213
C	GLU263
C	HIS313
C	ALA315
C	ASP317
C	TRP403

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 504

Chain	Residue
C	GLU220
C	ARG232
C	LEU233
C	PRO258
C	HOH633
C	HOH640
C	HOH651
C	HOH701

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL C 505

Chain	Residue
B	GLY80
B	VAL82
C	GLY80
C	PRO81
C	VAL82
C	HOH775

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 507

Chain	Residue
B	ARG63
B	HOH716
C	TYR107
C	ARG115
C	GLU116
C	HIS364
C	GLU367

Functional Information from PROSITE/UniProt

site_id	PS00908
Number of Residues	26
Details	MR_MLE_1 Mandelate racemase / muconate lactonizing enzyme family signature 1. AlAAVDmALwDIkAKlagmPLyqLLG

Chain	Residue	Details
A	ALA86-GLY111

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: Proton donor/acceptor => ECO:0000250

Chain	Residue	Details
A	TYR160
A	HIS213
B	TYR160
B	HIS213
C	TYR160
C	HIS213

site_id	SWS_FT_FI2
Number of Residues	21
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	ASN38
B	GLU263
B	ARG284
B	HIS313
B	ASP317
B	GLU340
C	ASN38
C	HIS123
C	GLU263
C	ARG284
C	HIS313
A	HIS123
C	ASP317
C	GLU340
A	GLU263
A	ARG284
A	HIS313
A	ASP317
A	GLU340
B	ASN38
B	HIS123

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269\|PubMed:24697546

Chain	Residue	Details
A	ASP211
A	GLU237
B	ASP211
B	GLU237
C	ASP211
C	GLU237

site_id	SWS_FT_FI4
Number of Residues	3
Details	SITE: Important for activity and substrate specificity; Ala is observed in family members with high D-mannonate dehydratase activity that have no activity with D-gluconate => ECO:0000250

Chain	Residue	Details
A	ALA315
B	ALA315
C	ALA315

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