6Y7B

X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-carbopyronine fluorophore substrate

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
E	0003824	molecular_function	catalytic activity
E	0009636	biological_process	response to toxic substance
E	0016787	molecular_function	hydrolase activity
E	0018786	molecular_function	haloalkane dehalogenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	binding site for residue OEK A 301

Chain	Residue
A	ASP106
A	ALA145
A	THR148
A	PHE149
A	GLN165
A	GLY171
A	THR172
A	MET175
A	ASN272

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site_id	AC2
Number of Residues	4
Details	binding site for residue CL A 302

Chain	Residue
A	ASN41
A	TRP107
A	PHE205
A	PRO206

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site_id	AC3
Number of Residues	3
Details	binding site for residue CL B 302

Chain	Residue
B	ASN41
B	TRP107
B	PRO206

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site_id	AC4
Number of Residues	3
Details	binding site for residue CL C 302

Chain	Residue
C	ASN41
C	TRP107
C	OEK301

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site_id	AC5
Number of Residues	3
Details	binding site for residue CL D 302

Chain	Residue
D	ASN41
D	TRP107
D	PRO206

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site_id	AC6
Number of Residues	2
Details	binding site for residue CL E 302

Chain	Residue
E	TRP107
E	PHE205

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site_id	AC7
Number of Residues	17
Details	binding site for Di-peptide OEK B 301 and ASP B 106

Chain	Residue
B	GLY40
B	ASN41
B	HIS105
B	TRP107
B	GLY108
B	SER109
B	ALA110
B	GLU130
B	ILE132
B	THR148
B	GLN165
B	GLU170
B	GLY171
B	THR172
B	MET175
B	ASN272
E	THR58

---

site_id	AC8
Number of Residues	18
Details	binding site for Di-peptide OEK C 301 and ASP C 106

Chain	Residue
C	ASN41
C	HIS105
C	TRP107
C	GLY108
C	SER109
C	ALA110
C	GLU130
C	ILE132
C	ALA145
C	THR148
C	PHE149
C	GLN165
C	GLU170
C	THR172
C	MET175
C	LEU246
C	ASN272
C	CL302

---

site_id	AC9
Number of Residues	23
Details	binding site for Di-peptide OEK D 301 and ASP D 106

Chain	Residue
C	THR137
C	TRP138
C	ASP139
C	GLN150
C	ALA212
D	ASN41
D	HIS105
D	TRP107
D	GLY108
D	SER109
D	ALA110
D	GLU130
D	ILE132
D	PHE144
D	ALA145
D	THR148
D	GLN165
D	VAL167
D	GLU170
D	GLY171
D	THR172
D	LEU246
D	ASN272

---

site_id	AD1
Number of Residues	15
Details	binding site for Di-peptide OEK E 301 and ASP E 106

Chain	Residue
E	ASN41
E	HIS105
E	TRP107
E	GLY108
E	SER109
E	ALA110
E	GLU130
E	ILE132
E	PHE144
E	ALA145
E	THR148
E	PHE149
E	GLN165
E	THR172
E	ASN272

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	ACT_SITE: Nucleophile => ECO:0000250

Chain	Residue	Details
B	ASP106
C	ASP106
D	ASP106
E	ASP106
A	ASP106

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	ACT_SITE: Proton donor => ECO:0000250

Chain	Residue	Details
B	GLU130
C	GLU130
D	GLU130
E	GLU130
A	GLU130

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site_id	SWS_FT_FI3
Number of Residues	5
Details	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
B	ASN272
C	ASN272
D	ASN272
E	ASN272
A	ASN272

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