2XXI

Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0015276	molecular_function	ligand-gated monoatomic ion channel activity
A	0016020	cellular_component	membrane
B	0015276	molecular_function	ligand-gated monoatomic ion channel activity
B	0016020	cellular_component	membrane
C	0015276	molecular_function	ligand-gated monoatomic ion channel activity
C	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GLU A 301

Chain	Residue
A	TYR61
A	HOH2122
A	HOH2171
A	HOH2172
A	PRO89
A	LEU90
A	THR91
A	ARG96
A	GLY141
A	SER142
A	THR143
A	GLU193

---

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE GLU B 301

Chain	Residue
B	TYR61
B	PRO89
B	LEU90
B	THR91
B	ARG96
B	LEU138
B	GLY141
B	SER142
B	THR143
B	GLU193
B	HOH2145
B	HOH2184
B	HOH2185

---

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE GLU C 301

Chain	Residue
C	TYR61
C	PRO89
C	LEU90
C	THR91
C	ARG96
C	LEU138
C	GLY141
C	SER142
C	THR143
C	GLU193
C	HOH2087
C	HOH2117
C	HOH2154

---

site_id	AC4
Number of Residues	33
Details	BINDING SITE FOR RESIDUE JAC A 1302

Chain	Residue
A	ILE92
A	LYS104
A	PRO105
A	PHE106
A	MET107
A	SER108
A	SER217
A	LYS218
A	GLY219
A	LEU239
A	SER242
A	HOH2022
A	HOH2066
A	HOH2074
A	HOH2076
A	HOH2151
A	HOH2173
A	HOH2174
A	HOH2175
A	HOH2176
C	ILE92
C	LYS104
C	PRO105
C	PHE106
C	SER108
C	SER217
C	LYS218
C	GLY219
C	LEU239
C	SER242
C	HOH2063
C	HOH2072
C	HOH2076

---

site_id	AC5
Number of Residues	25
Details	BINDING SITE FOR RESIDUE JAC B 1302

Chain	Residue
B	ILE92
B	LYS104
B	PRO105
B	PRO105
B	PHE106
B	PHE106
B	MET107
B	SER108
B	SER108
B	SER217
B	SER217
B	LYS218
B	LYS218
B	GLY219
B	LEU239
B	SER242
B	SER242
B	HOH2072
B	HOH2080
B	HOH2081
B	HOH2083
B	HOH2170
B	HOH2170
B	HOH2186
B	HOH2187

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 1304

Chain	Residue
A	ZN1305
B	ARG163
B	ALA165
B	GLU166
B	SER168
A	GLU42
A	LYS45
A	HIS46

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1305

Chain	Residue
A	GLU42
A	HIS46
A	SO41304
B	GLU166

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 1303

Chain	Residue
B	HIS23
B	GLU30
C	HIS23
C	GLU24

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 1302

Chain	Residue
A	HIS23
C	ASP65
C	HOH2155
C	HOH2156

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN B 1304

Chain	Residue
A	GLU166
B	GLU42
B	HIS46
B	LEU241
B	HOH2188

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN C 1303

Chain	Residue
C	GLU42
C	LYS45
C	HIS46
C	HOH2157
C	HOH2158

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	BINDING: BINDING => ECO:0000269|PubMed:11086992, ECO:0000269|PubMed:16483599, ECO:0007744|PDB:1FTJ, ECO:0007744|PDB:2CMO

Chain	Residue	Details
A	PRO89
B	SER142
B	THR143
B	GLU193
C	PRO89
C	THR91
C	ARG96
C	SER142
C	THR143
C	GLU193
A	THR91
A	ARG96
A	SER142
A	THR143
A	GLU193
B	PRO89
B	THR91
B	ARG96

---

site_id	SWS_FT_FI2
Number of Residues	9
Details	SITE: Interaction with the cone snail toxin Con-ikot-ikot => ECO:0000269|PubMed:25103405

Chain	Residue	Details
A	ARG64
A	ARG148
A	LYS240
B	ARG64
B	ARG148
B	LYS240
C	ARG64
C	ARG148
C	LYS240

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	SITE: Crucial to convey clamshell closure to channel opening => ECO:0000269|PubMed:25103405

Chain	Residue	Details
A	ILE121
B	ILE121
C	ILE121

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	MOD_RES: Phosphoserine; by PKC => ECO:0000269|PubMed:8848293

Chain	Residue	Details
A	SER150
B	SER150
C	SER150

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	MOD_RES: Phosphoserine; by PKG => ECO:0000269|PubMed:8848293

Chain	Residue	Details
A	SER184
B	SER184
C	SER184

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASN3
B	ASN3
C	ASN3

---