1UC4

Structure of diol dehydratase complexed with (S)-1,2-propanediol

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
B	0016829	molecular_function	lyase activity
E	0016829	molecular_function	lyase activity
G	0016829	molecular_function	lyase 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
M	0016829	molecular_function	lyase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NH4 A 2604

Chain	Residue
A	GLY261
A	SER264
A	GLU265
A	GLU280
A	CYS283
A	HOH2644

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NH4 A 2605

Chain	Residue
A	THR222
B	CNC2601
A	LEU203
A	GLU205
A	GLU208

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K A 2603

Chain	Residue
A	GLN141
A	GLU170
A	GLU221
A	GLN296
A	SER362
A	PGO2602

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NH4 L 3604

Chain	Residue
L	GLY261
L	SER264
L	GLU265
L	GLU280
L	CYS283
L	HOH3607

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NH4 L 3605

Chain	Residue
E	CNC3601
L	LEU203
L	GLU205
L	GLU208
L	THR222

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K L 3603

Chain	Residue
L	GLN141
L	GLU170
L	GLU221
L	GLN296
L	SER362
L	PGO3602

---

site_id	AC7
Number of Residues	34
Details	BINDING SITE FOR RESIDUE CNC B 2601

Chain	Residue
A	THR172
A	GLU205
A	THR222
A	SER224
A	ASP234
A	GLN267
A	MET268
A	SER301
A	GLN336
A	MET373
A	PHE374
A	NH42605
A	HOH2610
A	HOH2938
A	HOH2968
B	ASP112
B	VAL113
B	LYS135
B	THR137
B	LEU148
B	ASN150
B	LEU153
B	PRO155
B	GLN156
B	ALA157
B	ARG193
B	TYR196
B	SER200
B	HOH2605
B	HOH2606
B	HOH2620
B	HOH2621
B	HOH2634
B	HOH2674

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PGO A 2602

Chain	Residue
A	HIS143
A	GLU170
A	GLU221
A	THR222
A	GLN296
A	SER301
A	ASP335
A	GLN336
A	SER362
A	K2603

---

site_id	AC9
Number of Residues	34
Details	BINDING SITE FOR RESIDUE CNC E 3601

Chain	Residue
L	VAL173
L	ALA174
L	GLU205
L	THR222
L	SER224
L	ASP234
L	GLN267
L	MET268
L	SER301
L	GLN336
L	MET373
L	PHE374
L	NH43605
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	SER200
E	HOH3603
E	HOH3606
E	HOH3610
E	HOH3612
E	HOH3623
E	HOH3633
E	HOH3653
L	THR172

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGO L 3602

Chain	Residue
L	HIS143
L	GLU170
L	GLU221
L	THR222
L	GLN296
L	ASP335
L	GLN336
L	SER362
L	K3603

---

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

---

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

---

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

---

site_id	MCSA2
Number of Residues	7
Details	M-CSA 494

Chain

Residue

Details

---