4MMW

Crystal structure of D-glucarate dehydratase from Agrobacterium tumefaciens complexed with magnesium, L-Xylarohydroxamate and L-Lyxarohydroxamate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0016052	biological_process	carbohydrate catabolic process
A	0016836	molecular_function	hydro-lyase activity
A	0016853	molecular_function	isomerase activity
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0016052	biological_process	carbohydrate catabolic process
B	0016836	molecular_function	hydro-lyase activity
B	0016853	molecular_function	isomerase activity
B	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 401

Chain	Residue
A	PRO335
A	HOH669
A	HOH698
A	HOH854
A	HOH857
A	HOH859

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 402

Chain	Residue
A	XYH404
A	LLH405
A	HOH794
A	ASP206
A	GLU232
A	GLU258

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 403

Chain	Residue
A	SER247
A	LEU250
A	HOH795
A	HOH796
A	HOH797
A	HOH798

---

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE XYH A 404

Chain	Residue
A	HIS24
A	CYS139
A	LYS169
A	HIS171
A	ASP206
A	HIS209
A	GLU232
A	GLU258
A	ARG280
A	HIS309
A	GLU329
A	MG402
A	HOH543
A	HOH548
A	HOH794
A	HOH851
B	ARG90

---

site_id	AC5
Number of Residues	17
Details	BINDING SITE FOR RESIDUE LLH A 405

Chain	Residue
A	HIS24
A	LYS169
A	HIS171
A	ASP206
A	HIS209
A	GLU232
A	GLU258
A	ARG280
A	HIS309
A	GLU329
A	MG402
A	HOH543
A	HOH548
A	HOH794
A	HOH840
A	HOH851
B	ARG90

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL A 406

Chain	Residue
A	ARG163
A	ARG330
A	ASP340
A	LEU349
A	PRO352
A	MET353

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 407

Chain	Residue
A	ARG128
A	VAL131
A	LEU132
A	HOH545

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 408

Chain	Residue
A	LYS347
A	PHE373
A	THR374

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 409

Chain	Residue
A	MET1
A	ASP74

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 410

Chain	Residue
A	MET1
A	ARG76

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PGE A 411

Chain	Residue
A	GLN238
A	ALA261
A	HOH869
B	GLN238
B	ALA261
B	GLY262
B	HOH644

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG B 401

Chain	Residue
A	GLU338
B	PRO335
B	HOH676
B	HOH804
B	HOH842
B	HOH856
B	HOH857

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 402

Chain	Residue
B	ASP206
B	GLU232
B	GLU258
B	XYH404
B	LLH405
B	HOH786

---

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 403

Chain	Residue
B	SER247
B	LEU250
B	HOH787
B	HOH788
B	HOH789
B	HOH790

---

site_id	BC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE XYH B 404

Chain	Residue
B	ASP206
B	HIS209
B	GLU232
B	GLU258
B	ARG280
B	HIS309
B	GLU329
B	MG402
B	HOH545
B	HOH568
B	HOH786
B	HOH855
A	ARG90
B	HIS24
B	LYS169
B	HIS171

---

site_id	BC7
Number of Residues	17
Details	BINDING SITE FOR RESIDUE LLH B 405

Chain	Residue
A	ARG90
B	HIS24
B	LYS169
B	HIS171
B	ASP206
B	HIS209
B	GLU232
B	GLU258
B	ARG280
B	HIS309
B	GLU329
B	MG402
B	HOH545
B	HOH568
B	HOH786
B	HOH835
B	HOH855

---

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 406

Chain	Residue
B	ARG163
B	ARG330
B	LEU349
B	MET353

---

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 407

Chain	Residue
A	HOH676
B	PRO59
B	HIS60
B	HOH841

---

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 408

Chain	Residue
B	ARG128
B	VAL131
B	LEU132

---

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 409

Chain	Residue
B	MET1
B	ASP74

---

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 410

Chain	Residue
B	MET1
B	ARG76

---