3VCN

Crystal structure of mannonate dehydratase (target EFI-502209) from Caulobacter crescentus CB15

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
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	CO3503
A	HOH635
A	HOH791

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL A 502

Chain	Residue
A	HIS313
A	ALA315
A	ASP317
A	TRP403
A	CO3503
A	HOH699
C	TYR76
C	TRP77
A	ASN38
A	HIS213
A	GLU263

---

site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CO3 A 503

Chain	Residue
A	ARG148
A	TYR160
A	ASP211
A	GLU237
A	GLU263
A	ARG284
A	HIS313
A	GLU340
A	MET342
A	MG501
A	GOL502
A	HOH608
A	HOH699
A	HOH791

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL A 504

Chain	Residue
A	GLY79
A	GLY80
A	VAL82
A	ALA83
C	PRO81
C	CL504

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 505

Chain	Residue
A	HOH860
A	HOH974
A	HOH975
A	HOH976
A	HOH979
A	HOH980

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 506

Chain	Residue
A	TYR341
A	ASP349
A	HIS354
A	TYR356
A	PHE358
A	HOH855
A	HOH1026

---

site_id	AC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GOL C 501

Chain	Residue
A	TYR76
A	TRP77
C	ASN38
C	TYR160
C	HIS213
C	GLU263
C	HIS313
C	ALA315
C	ASP317
C	TRP403
C	CO3503
C	HOH659

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 502

Chain	Residue
C	ASP211
C	GLU237
C	GLU263
C	CO3503
C	HOH641
C	HOH660

---

site_id	AC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CO3 C 503

Chain	Residue
C	ARG148
C	TYR160
C	ASP211
C	GLU237
C	GLU263
C	ARG284
C	HIS313
C	GLU340
C	MET342
C	GOL501
C	MG502
C	HOH606
C	HOH641
C	HOH659

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL C 504

Chain	Residue
A	CL504
C	GLY79
C	GLY80
C	VAL82
C	ALA83

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 505

Chain	Residue
C	HOH797
C	HOH824
C	HOH933
C	HOH967
C	HOH968
C	HOH969

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ALA86-GLY111

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton donor/acceptor => ECO:0000250

Chain	Residue	Details
A	TYR160
A	HIS213
C	TYR160
C	HIS213

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING:

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

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
C	HIS123
A	HIS123

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:24697546

Chain	Residue	Details
C	ASP211
C	GLU237
A	ASP211
A	GLU237

---

site_id	SWS_FT_FI5
Number of Residues	2
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
C	ALA315

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