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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6Y9E

Crystal structure of putative ancestral haloalkane dehalogenase AncHLD2 (node 2)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0018786	molecular_function	haloalkane dehalogenase activity
B	0003824	molecular_function	catalytic activity
B	0018786	molecular_function	haloalkane dehalogenase activity
C	0003824	molecular_function	catalytic activity
C	0018786	molecular_function	haloalkane dehalogenase activity
D	0003824	molecular_function	catalytic activity
D	0018786	molecular_function	haloalkane dehalogenase activity
E	0003824	molecular_function	catalytic activity
E	0018786	molecular_function	haloalkane dehalogenase activity
F	0003824	molecular_function	catalytic activity
F	0018786	molecular_function	haloalkane dehalogenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue CL A 401

Chain	Residue
A	ASN38
A	TRP104
A	PHE167
A	PHE204
A	PRO205
A	HOH565

site_id	AC2
Number of Residues	4
Details	binding site for residue CL A 402

Chain	Residue
A	GLN274
A	GLY37
A	THR40
A	GLN102

site_id	AC3
Number of Residues	6
Details	binding site for residue MPD A 403

Chain	Residue
A	ARG130
A	ASP137
A	HIS139
A	GLN140
A	LEU245
A	SER247

site_id	AC4
Number of Residues	3
Details	binding site for residue TRS A 404

Chain	Residue
A	GLU183
B	PRO195
B	GLU196

site_id	AC5
Number of Residues	3
Details	binding site for residue TRS A 405

Chain	Residue
A	ASP86
A	ASP90
A	ARG116

site_id	AC6
Number of Residues	7
Details	binding site for residue TRS A 406

Chain	Residue
A	PRO117
A	ASP118
A	VAL120
A	THR232
A	TYR233
A	HOH503
B	GLU95

site_id	AC7
Number of Residues	3
Details	binding site for residue TRS A 407

Chain	Residue
A	PRO195
A	GLU196
B	GLU183

site_id	AC8
Number of Residues	3
Details	binding site for residue EDO A 408

Chain	Residue
A	ASP16
A	PRO72
A	ASP73

site_id	AC9
Number of Residues	4
Details	binding site for residue EDO A 409

Chain	Residue
A	LYS71
A	PRO72
A	GLU196
A	HOH505

site_id	AD1
Number of Residues	3
Details	binding site for residue EDO A 410

Chain	Residue
A	MET147
A	SER175
A	HOH571

site_id	AD2
Number of Residues	1
Details	binding site for residue EDO A 411

Chain	Residue
A	ARG170

site_id	AD3
Number of Residues	3
Details	binding site for residue EDO A 412

Chain	Residue
A	HOH506
A	HOH637
C	ARG262

site_id	AD4
Number of Residues	2
Details	binding site for residue EDO A 413

Chain	Residue
A	ILE7
A	ARG22

site_id	AD5
Number of Residues	1
Details	binding site for residue EDO A 414

Chain	Residue
A	ARG262

site_id	AD6
Number of Residues	4
Details	binding site for residue CL B 401

Chain	Residue
B	GLY37
B	THR40
B	GLN102
B	GLN274

site_id	AD7
Number of Residues	5
Details	binding site for residue CL B 402

Chain	Residue
B	ASN38
B	TRP104
B	PHE167
B	PHE204
B	PRO205

site_id	AD8
Number of Residues	3
Details	binding site for residue MPD B 403

Chain	Residue
B	ARG152
B	ARG206
B	GLU213

site_id	AD9
Number of Residues	8
Details	binding site for residue TRS B 404

Chain	Residue
B	ARG130
B	ASP137
B	HIS139
B	GLN140
B	ALA244
B	LEU245
B	PHE250
B	HOH512

site_id	AE1
Number of Residues	1
Details	binding site for residue EDO B 405

Chain	Residue
B	HOH549

site_id	AE2
Number of Residues	5
Details	binding site for residue EDO B 406

Chain	Residue
A	THR194
A	HOH501
B	ARG22
B	GLN68
B	HOH521

site_id	AE3
Number of Residues	1
Details	binding site for residue EDO B 407

Chain	Residue
B	PHE250

site_id	AE4
Number of Residues	3
Details	binding site for residue EDO B 408

Chain	Residue
B	GLU291
B	HOH537
B	HOH552

site_id	AE5
Number of Residues	5
Details	binding site for residue EDO B 409

Chain	Residue
B	PRO117
B	VAL120
B	THR232
B	TYR233
B	HOH590

site_id	AE6
Number of Residues	2
Details	binding site for residue EDO B 410

Chain	Residue
B	LEU92
B	HOH525

site_id	AE7
Number of Residues	7
Details	binding site for residue EDO B 411

Chain	Residue
A	ARG189
B	GLU182
B	ALA186
B	HOH502
B	HOH516
B	HOH518
B	HOH667

site_id	AE8
Number of Residues	4
Details	binding site for residue CL C 401

Chain	Residue
C	ASN38
C	TRP104
C	PRO205
C	HOH538

site_id	AE9
Number of Residues	4
Details	binding site for residue CL C 402

Chain	Residue
C	GLN102
C	GLN274
C	GLY37
C	THR40

site_id	AF1
Number of Residues	6
Details	binding site for residue MPD C 403

Chain	Residue
B	GLY212
B	SER219
C	ILE74
C	ASP80
C	ARG83
C	TYR84

site_id	AF2
Number of Residues	4
Details	binding site for residue MPD C 404

Chain	Residue
C	ALA144
C	MET147
C	HOH524
C	HOH627

site_id	AF3
Number of Residues	3
Details	binding site for residue EDO C 405

Chain	Residue
C	ARG152
C	ARG206
C	HOH637

site_id	AF4
Number of Residues	2
Details	binding site for residue EDO C 406

Chain	Residue
C	LEU92
C	HOH543

site_id	AF5
Number of Residues	3
Details	binding site for residue EDO C 407

Chain	Residue
C	ALA114
C	SER223
C	HOH502

site_id	AF6
Number of Residues	4
Details	binding site for residue EDO C 408

Chain	Residue
B	THR134
B	ASP137
B	HOH526
C	ASP90

site_id	AF7
Number of Residues	3
Details	binding site for residue EDO C 409

Chain	Residue
C	GLU196
E	GLU183
E	HOH512

site_id	AF8
Number of Residues	4
Details	binding site for residue EDO C 410

Chain	Residue
C	LEU162
C	ARG199
C	HOH510
C	HOH600

site_id	AF9
Number of Residues	5
Details	binding site for residue EDO C 411

Chain	Residue
C	HIS277
C	PRO278
C	GLU279
C	ALA280
C	HOH523

site_id	AG1
Number of Residues	6
Details	binding site for residue CL D 401

Chain	Residue
D	ASN38
D	TRP104
D	PHE167
D	PHE204
D	PRO205
D	HOH535

site_id	AG2
Number of Residues	4
Details	binding site for residue CL D 402

Chain	Residue
D	GLY37
D	THR40
D	GLN102
D	GLN274

site_id	AG3
Number of Residues	8
Details	binding site for residue MPD D 403

Chain	Residue
A	GLY212
A	ALA215
A	SER219
D	ASP16
D	ILE74
D	ASP80
D	ARG83
D	TYR84

site_id	AG4
Number of Residues	6
Details	binding site for residue EDO D 404

Chain	Residue
D	LEU9
D	HIS11
D	GLN68
F	GLY70
F	LYS71
F	HOH549

site_id	AG5
Number of Residues	4
Details	binding site for residue EDO D 405

Chain	Residue
D	ARG22
D	GLN68
D	HOH637
F	LYS71

site_id	AG6
Number of Residues	1
Details	binding site for residue EDO D 406

Chain	Residue
D	ALA144

site_id	AG7
Number of Residues	5
Details	binding site for residue CL E 401

Chain	Residue
E	ASN38
E	TRP104
E	PHE167
E	PHE204
E	PRO205

site_id	AG8
Number of Residues	4
Details	binding site for residue CL E 402

Chain	Residue
E	GLY37
E	THR40
E	GLN102
E	GLN274

site_id	AG9
Number of Residues	1
Details	binding site for residue EDO E 403

Chain	Residue
E	MET147

site_id	AH1
Number of Residues	5
Details	binding site for residue CL F 401

Chain	Residue
F	ASN38
F	TRP104
F	PHE204
F	PRO205
F	HOH553

site_id	AH2
Number of Residues	4
Details	binding site for residue CL F 402

Chain	Residue
F	GLY37
F	THR40
F	GLN102
F	GLN274

site_id	AH3
Number of Residues	2
Details	binding site for residue EDO F 403

Chain	Residue
F	MET147
F	HOH544

site_id	AH4
Number of Residues	1
Details	binding site for residue EDO F 404

Chain	Residue
F	LEU92

site_id	AH5
Number of Residues	6
Details	binding site for residue EDO F 405

Chain	Residue
F	ARG199
F	LEU202
F	ARG203
F	ARG206
F	HOH510
F	HOH563

site_id	AH6
Number of Residues	3
Details	binding site for residue EDO F 406

Chain	Residue
E	GLU222
F	ASP86
F	HOH589

site_id	AH7
Number of Residues	4
Details	binding site for residue EDO F 407

Chain	Residue
F	ALA87
F	ASP90
F	HOH517
F	HOH519

221051

PDB entries from 2024-06-12

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