Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5YSH

Diol dehydratase - alpha/T172A mutant complexed with AdoCbl, aerobically-prepared crystal

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
D	0003824	molecular_function	catalytic activity
D	0016829	molecular_function	lyase activity
D	0016836	molecular_function	hydro-lyase activity
D	0031419	molecular_function	cobalamin binding
D	0046872	molecular_function	metal ion binding
D	0050215	molecular_function	propanediol dehydratase activity
G	0003824	molecular_function	catalytic activity
G	0016829	molecular_function	lyase activity
G	0016836	molecular_function	hydro-lyase activity
G	0031419	molecular_function	cobalamin binding
G	0046872	molecular_function	metal ion binding
G	0050215	molecular_function	propanediol dehydratase activity
J	0003824	molecular_function	catalytic activity
J	0016829	molecular_function	lyase activity
J	0016836	molecular_function	hydro-lyase activity
J	0031419	molecular_function	cobalamin binding
J	0046872	molecular_function	metal ion binding
J	0050215	molecular_function	propanediol dehydratase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue CA A 601

Chain	Residue
A	GLN141
A	GLU170
A	GLU221
A	GLN296
A	SER362
A	PGO604

site_id	AC2
Number of Residues	7
Details	binding site for residue K A 602

Chain	Residue
A	GLU280
A	CYS283
A	HOH723
A	HOH790
A	GLY261
A	SER264
A	GLU265

site_id	AC3
Number of Residues	5
Details	binding site for residue K A 603

Chain	Residue
A	LEU203
A	GLU205
A	GLU208
A	THR222
B	B121601

site_id	AC4
Number of Residues	10
Details	binding site for residue PGO A 604

Chain	Residue
A	HIS143
A	GLU170
A	GLU221
A	THR222
A	GLN296
A	SER301
A	ASP335
A	GLN336
A	SER362
A	CA601

site_id	AC5
Number of Residues	10
Details	binding site for residue 5AD A 605

Chain	Residue
A	SER224
A	VAL225
A	THR259
A	SER260
A	GLY261
A	SER299
A	VAL300
A	SER301
A	HOH790
B	B121601

site_id	AC6
Number of Residues	37
Details	binding site for residue B12 B 1601

Chain	Residue
A	ALA172
A	VAL173
A	ALA174
A	SER202
A	GLU205
A	THR222
A	SER224
A	ASP234
A	GLN267
A	MET268
A	SER301
A	GLN336
A	MET373
A	PHE374
A	K603
A	5AD605
A	HOH752
A	HOH792
B	ASP112
B	VAL113
B	LYS135
B	THR137
B	LEU148
B	ASN150
B	LEU153
B	PRO155
B	GLN156
B	ALA157
B	PRO158
B	ARG193
B	SER200
B	HOH1702
B	HOH1706
B	HOH1707
B	HOH1712
B	HOH1713
B	HOH1717

site_id	AC7
Number of Residues	6
Details	binding site for residue CA D 601

Chain	Residue
D	GLN141
D	GLU170
D	GLU221
D	GLN296
D	SER362
D	PGO604

site_id	AC8
Number of Residues	7
Details	binding site for residue K D 602

Chain	Residue
D	GLY261
D	SER264
D	GLU265
D	GLU280
D	CYS283
D	HOH752
D	HOH802

site_id	AC9
Number of Residues	6
Details	binding site for residue K D 603

Chain	Residue
D	LEU203
D	GLU205
D	GLU208
D	THR222
D	HOH768
E	B121601

site_id	AD1
Number of Residues	9
Details	binding site for residue PGO D 604

Chain	Residue
D	ASP335
D	GLN336
D	SER362
D	CA601
D	HIS143
D	GLU170
D	GLU221
D	THR222
D	GLN296

site_id	AD2
Number of Residues	11
Details	binding site for residue 5AD D 605

Chain	Residue
D	SER224
D	VAL225
D	THR259
D	SER260
D	GLY261
D	SER264
D	SER299
D	VAL300
D	SER301
D	HOH802
E	B121601

site_id	AD3
Number of Residues	35
Details	binding site for residue B12 E 1601

Chain	Residue
D	ALA172
D	VAL173
D	ALA174
D	SER202
D	GLU205
D	THR222
D	SER224
D	ASP234
D	GLN267
D	MET268
D	SER301
D	GLN336
D	MET373
D	PHE374
D	K603
D	5AD605
D	HOH828
D	HOH937
E	ASP112
E	LYS135
E	THR137
E	LEU148
E	ASN150
E	LEU153
E	PRO155
E	GLN156
E	ALA157
E	PRO158
E	ARG193
E	SER200
E	HOH1710
E	HOH1714
E	HOH1730
E	HOH1732
E	HOH1733

site_id	AD4
Number of Residues	6
Details	binding site for residue CA G 601

Chain	Residue
G	GLN141
G	GLU170
G	GLU221
G	GLN296
G	SER362
G	PGO604

site_id	AD5
Number of Residues	7
Details	binding site for residue K G 602

Chain	Residue
G	GLY261
G	SER264
G	GLU265
G	GLU280
G	CYS283
G	HOH714
G	HOH748

site_id	AD6
Number of Residues	5
Details	binding site for residue K G 603

Chain	Residue
G	LEU203
G	GLU205
G	GLU208
G	THR222
H	B121601

site_id	AD7
Number of Residues	11
Details	binding site for residue PGO G 604

Chain	Residue
G	HIS143
G	GLU170
G	GLU221
G	THR222
G	GLN296
G	VAL300
G	SER301
G	ASP335
G	GLN336
G	SER362
G	CA601

site_id	AD8
Number of Residues	10
Details	binding site for residue 5AD G 605

Chain	Residue
G	SER224
G	THR259
G	SER260
G	GLY261
G	SER264
G	SER299
G	VAL300
G	SER301
G	HOH748
H	B121601

site_id	AD9
Number of Residues	33
Details	binding site for residue B12 H 1601

Chain	Residue
G	ALA172
G	SER202
G	GLU205
G	THR222
G	SER224
G	ASP234
G	GLN267
G	MET268
G	SER301
G	GLN336
G	MET373
G	K603
G	5AD605
G	HOH825
G	HOH830
H	ASP112
H	LYS135
H	THR137
H	LEU148
H	ASN150
H	LEU153
H	PRO155
H	GLN156
H	ALA157
H	ARG193
H	GLN197
H	SER200
H	HOH1703
H	HOH1706
H	HOH1708
H	HOH1710
H	HOH1716
H	HOH1728

site_id	AE1
Number of Residues	6
Details	binding site for residue CA J 601

Chain	Residue
J	GLN141
J	GLU170
J	GLU221
J	GLN296
J	SER362
J	PGO604

site_id	AE2
Number of Residues	7
Details	binding site for residue K J 602

Chain	Residue
J	GLY261
J	SER264
J	GLU265
J	GLU280
J	CYS283
J	HOH739
J	HOH786

site_id	AE3
Number of Residues	5
Details	binding site for residue K J 603

Chain	Residue
J	LEU203
J	GLU205
J	GLU208
J	THR222
K	B121601

site_id	AE4
Number of Residues	11
Details	binding site for residue PGO J 604

Chain	Residue
J	HIS143
J	GLU170
J	GLU221
J	THR222
J	GLN296
J	VAL300
J	SER301
J	ASP335
J	GLN336
J	SER362
J	CA601

site_id	AE5
Number of Residues	9
Details	binding site for residue 5AD J 605

Chain	Residue
J	SER224
J	THR259
J	SER260
J	GLY261
J	SER299
J	VAL300
J	SER301
J	HOH786
K	B121601

site_id	AE6
Number of Residues	26
Details	binding site for residue B12 K 1601

Chain	Residue
J	ALA172
J	SER202
J	GLU205
J	THR222
J	ASP234
J	GLN267
J	MET268
J	SER301
J	GLN336
J	MET373
J	PHE374
J	K603
J	5AD605
K	ASP112
K	LYS135
K	THR137
K	LEU148
K	ASN150
K	LEU153
K	PRO155
K	GLN156
K	ALA157
K	ARG193
K	SER200
K	HOH1703
K	HOH1705

Catalytic Information from CSA

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

site_id	MCSA3
Number of Residues	7
Details	M-CSA 494

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

site_id	MCSA4
Number of Residues	7
Details	M-CSA 494

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

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