1EEX

CRYSTAL STRUCTURE OF THE DIOL DEHYDRATASE-ADENINYLPENTYLCOBALAMIN COMPLEX FROM KLEBSIELLA OXYTOCA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0016829	molecular_function	lyase activity
A	0016836	molecular_function	hydro-lyase activity
A	0031419	molecular_function	cobalamin binding
A	0046872	molecular_function	metal ion binding
A	0050215	molecular_function	propanediol dehydratase activity
B	0016829	molecular_function	lyase activity
B	0050215	molecular_function	propanediol dehydratase activity
E	0016829	molecular_function	lyase activity
E	0050215	molecular_function	propanediol dehydratase activity
G	0016829	molecular_function	lyase activity
G	0050215	molecular_function	propanediol dehydratase activity
L	0003824	molecular_function	catalytic activity
L	0016829	molecular_function	lyase activity
L	0016836	molecular_function	hydro-lyase activity
L	0031419	molecular_function	cobalamin binding
L	0046872	molecular_function	metal ion binding
L	0050215	molecular_function	propanediol dehydratase activity
M	0016829	molecular_function	lyase activity
M	0050215	molecular_function	propanediol dehydratase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K A 603

Chain	Residue
A	GLN141
A	GLU170
A	GLU221
A	GLN296
A	SER362
A	PGO602

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site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K A 604

Chain	Residue
A	GLU280
A	CYS283
A	HOH625
A	HOH728
A	GLY261
A	SER264
A	GLU265

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K L 603

Chain	Residue
L	GLN141
L	GLU170
L	GLU221
L	GLN296
L	SER362
L	PGO602

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K L 604

Chain	Residue
L	GLY261
L	SER264
L	GLU265
L	GLU280
L	CYS283
L	HOH606
L	HOH624

---

site_id	AC5
Number of Residues	40
Details	BINDING SITE FOR RESIDUE COY A 601

Chain	Residue
A	THR172
A	VAL173
A	GLU205
A	THR222
A	SER224
A	VAL225
A	ASP234
A	THR259
A	SER260
A	GLY261
A	GLN267
A	MET268
A	SER299
A	VAL300
A	SER301
A	GLN336
A	MET373
A	PHE374
A	HOH623
A	HOH625
A	HOH639
A	HOH696
A	HOH714
A	HOH755
A	HOH789
A	HOH851
A	HOH1123
B	ASP112
B	LYS135
B	THR137
B	LEU148
B	ASN150
B	LEU153
B	PRO155
B	GLN156
B	ALA157
B	ARG193
B	TYR196
B	SER200
B	HOH226

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGO A 602

Chain	Residue
A	HIS143
A	GLU170
A	GLU221
A	THR222
A	GLN296
A	ASP335
A	GLN336
A	SER362
A	K603

---

site_id	AC7
Number of Residues	40
Details	BINDING SITE FOR RESIDUE COY L 601

Chain	Residue
L	SER260
L	GLY261
L	GLN267
L	MET268
L	SER299
L	VAL300
L	SER301
L	GLN336
L	MET373
L	PHE374
L	HOH624
L	HOH667
L	HOH759
L	HOH809
L	HOH950
L	HOH961
E	ASP112
E	VAL113
E	LYS135
E	THR137
E	LEU148
E	ASN150
E	LEU153
E	PRO155
E	GLN156
E	ALA157
E	ARG193
E	TYR196
E	GLN197
E	SER200
E	HOH229
E	HOH230
E	HOH266
L	THR172
L	VAL173
L	GLU205
L	THR222
L	SER224
L	ASP234
L	THR259

---

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGO L 602

Chain	Residue
L	HIS143
L	GLU170
L	GLU221
L	THR222
L	GLN296
L	ASP335
L	GLN336
L	SER362
L	K603

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1dio

Chain	Residue	Details
A	ASP335
A	GLU170
A	HIS143
A	GLN296

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site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1dio

Chain	Residue	Details
L	ASP335
L	GLU170
L	HIS143
L	GLN296

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site_id	MCSA1
Number of Residues	7
Details	M-CSA 494

Chain	Residue	Details
A	GLN141	metal ligand
A	HIS143	radical stabiliser
A	GLU170	metal ligand, proton shuttle (general acid/base)
A	GLU221	metal ligand
A	GLN296	metal ligand
A	ASP335	radical stabiliser
A	SER362	metal ligand

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site_id	MCSA2
Number of Residues	7
Details	M-CSA 494

Chain

Residue

Details

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