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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6XTC

Crystal structure of haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0009636	biological_process	response to toxic substance
A	0016787	molecular_function	hydrolase activity
A	0018786	molecular_function	haloalkane dehalogenase activity
B	0003824	molecular_function	catalytic activity
B	0009636	biological_process	response to toxic substance
B	0016787	molecular_function	hydrolase activity
B	0018786	molecular_function	haloalkane dehalogenase activity
C	0003824	molecular_function	catalytic activity
C	0009636	biological_process	response to toxic substance
C	0016787	molecular_function	hydrolase activity
C	0018786	molecular_function	haloalkane dehalogenase activity
D	0003824	molecular_function	catalytic activity
D	0009636	biological_process	response to toxic substance
D	0016787	molecular_function	hydrolase activity
D	0018786	molecular_function	haloalkane dehalogenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	1
Details	binding site for residue GOL A 301

Chain	Residue
A	ASN261

site_id	AC2
Number of Residues	2
Details	binding site for residue GOL A 302

Chain	Residue
A	ARG118
A	HOH410

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 303

Chain	Residue
A	TRP228
A	GLN231
A	SER232
A	PRO233

site_id	AC4
Number of Residues	5
Details	binding site for residue SO4 A 304

Chain	Residue
C	ASP139
C	GLU143
C	ARG146
A	ARG288
A	HOH414

site_id	AC5
Number of Residues	1
Details	binding site for residue SO4 A 305

Chain	Residue
A	ARG204

site_id	AC6
Number of Residues	5
Details	binding site for residue SO4 A 306

Chain	Residue
A	GLU214
A	PRO215
A	ALA216
A	HOH401
C	GLU3

site_id	AC7
Number of Residues	4
Details	binding site for residue SO4 A 307

Chain	Residue
A	MET226
A	HIS230
B	ARG133
B	PRO134

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 A 308

Chain	Residue
A	LEU77
A	ARG86
A	TYR87

site_id	AC9
Number of Residues	3
Details	binding site for residue SO4 A 309

Chain	Residue
A	ASP164
A	PRO196
A	ARG199

site_id	AD1
Number of Residues	4
Details	binding site for residue SO4 A 310

Chain	Residue
A	TRP138
A	ARG153
A	HOH419
B	GLU214

site_id	AD2
Number of Residues	3
Details	binding site for residue SO4 A 311

Chain	Residue
A	ARG133
B	MET226
B	HIS230

site_id	AD3
Number of Residues	1
Details	binding site for residue SO4 A 312

Chain	Residue
A	ARG288

site_id	AD4
Number of Residues	3
Details	binding site for residue SO4 B 301

Chain	Residue
B	GLY5
B	THR6
B	GLY7

site_id	AD5
Number of Residues	3
Details	binding site for residue SO4 B 302

Chain	Residue
A	HIS188
B	GLY7
B	PHE8

site_id	AD6
Number of Residues	3
Details	binding site for residue SO4 B 303

Chain	Residue
A	ILE211
B	TRP138
B	ARG153

site_id	AD7
Number of Residues	2
Details	binding site for residue SO4 B 304

Chain	Residue
B	PRO260
B	ASN261

site_id	AD8
Number of Residues	3
Details	binding site for residue SO4 B 305

Chain	Residue
B	ARG288
B	HOH405
D	ARG146

site_id	AD9
Number of Residues	3
Details	binding site for residue SO4 B 306

Chain	Residue
B	LEU77
B	ARG86
B	TYR87

site_id	AE1
Number of Residues	2
Details	binding site for residue SO4 B 307

Chain	Residue
A	PHE80
B	ARG204

site_id	AE2
Number of Residues	4
Details	binding site for residue SO4 B 308

Chain	Residue
B	GLU214
B	PRO215
B	ALA216
B	HOH424

site_id	AE3
Number of Residues	5
Details	binding site for residue SO4 B 309

Chain	Residue
A	PRO120
B	TRP228
B	GLN231
B	SER232
B	PRO233

site_id	AE4
Number of Residues	5
Details	binding site for residue SO4 B 310

Chain	Residue
B	VAL27
B	GLY28
B	ARG30
C	ARG21
C	SO4301

site_id	AE5
Number of Residues	4
Details	binding site for residue SO4 B 311

Chain	Residue
B	ASP139
B	TRP141
B	GLU143
B	ARG146

site_id	AE6
Number of Residues	3
Details	binding site for residue SO4 B 312

Chain	Residue
B	PRO248
B	PRO249
B	ALA250

site_id	AE7
Number of Residues	1
Details	binding site for residue SO4 B 313

Chain	Residue
B	ARG118

site_id	AE8
Number of Residues	4
Details	binding site for residue SO4 C 301

Chain	Residue
B	SO4310
C	TYR14
C	ARG21
C	ASP73

site_id	AE9
Number of Residues	4
Details	binding site for residue SO4 C 302

Chain	Residue
C	TRP138
C	ARG153
D	ILE211
D	GLU214

site_id	AF1
Number of Residues	3
Details	binding site for residue SO4 C 303

Chain	Residue
C	GLY5
C	THR6
C	GLY7

site_id	AF2
Number of Residues	2
Details	binding site for residue SO4 C 304

Chain	Residue
C	LEU77
C	ARG86

site_id	AF3
Number of Residues	1
Details	binding site for residue SO4 C 305

Chain	Residue
C	ARG204

site_id	AF4
Number of Residues	3
Details	binding site for residue SO4 D 301

Chain	Residue
D	LEU194
D	PRO196
D	ARG199

site_id	AF5
Number of Residues	3
Details	binding site for residue SO4 D 302

Chain	Residue
D	TRP228
D	GLN231
D	SER232

site_id	AF6
Number of Residues	3
Details	binding site for residue SO4 D 303

Chain	Residue
D	ARG153
C	GLU214
D	TRP138

site_id	AF7
Number of Residues	1
Details	binding site for residue SO4 D 304

Chain	Residue
D	ARG159

site_id	AF8
Number of Residues	3
Details	binding site for residue SO4 D 305

Chain	Residue
D	PRO248
D	PRO249
D	ALA250

site_id	AF9
Number of Residues	1
Details	binding site for residue SO4 D 306

Chain	Residue
D	ASN261

site_id	AG1
Number of Residues	1
Details	binding site for residue SO4 D 307

Chain	Residue
D	ARG204

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Nucleophile => ECO:0000250

Chain	Residue	Details
A	ASP106
B	ASP106
C	ASP106
D	ASP106

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton donor => ECO:0000250

Chain	Residue	Details
A	GLU130
B	GLU130
C	GLU130
D	GLU130

site_id	SWS_FT_FI3
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
A	HIS272
B	HIS272
C	HIS272
D	HIS272

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PDB entries from 2024-07-17

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