5EKW

A. thaliana IGPD2 in complex with the racemate of the triazole-phosphonate inhibitor, C348

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000105	biological_process	L-histidine biosynthetic process
A	0004424	molecular_function	imidazoleglycerol-phosphate dehydratase activity

Functional Information from PDB Data

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

Chain	Residue
A	HIS47
A	HIS74
A	HIS169
A	GLU173
A	5DL403
A	5LD404

---

site_id	AC2
Number of Residues	7
Details	binding site for residue MN A 402

Chain	Residue
A	HIS170
A	5DL403
A	5LD404
A	HOH525
A	HIS73
A	GLU77
A	HIS145

---

site_id	AC3
Number of Residues	21
Details	binding site for residue 5DL A 403

Chain	Residue
A	GLU21
A	HIS47
A	HIS73
A	HIS74
A	GLU77
A	ARG99
A	LEU107
A	ARG121
A	HIS169
A	HIS170
A	GLU173
A	LYS177
A	SER199
A	LYS201
A	MN401
A	MN402
A	5LD404
A	EDO409
A	HOH525
A	HOH574
A	HOH607

---

site_id	AC4
Number of Residues	20
Details	binding site for residue 5LD A 404

Chain	Residue
A	GLU21
A	HIS47
A	HIS73
A	HIS74
A	GLU77
A	ARG99
A	ARG121
A	HIS169
A	HIS170
A	GLU173
A	LYS177
A	SER199
A	LYS201
A	MN401
A	MN402
A	5DL403
A	EDO409
A	HOH525
A	HOH574
A	HOH607

---

site_id	AC5
Number of Residues	9
Details	binding site for residue EDO A 405

Chain	Residue
A	LEU88
A	ARG94
A	LEU118
A	SER119
A	GLY120
A	SER154
A	GLY155
A	HOH532
A	HOH580

---

site_id	AC6
Number of Residues	6
Details	binding site for residue EDO A 406

Chain	Residue
A	ARG17
A	THR85
A	THR153
A	HOH537
A	HOH545
A	HOH697

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO A 407

Chain	Residue
A	GLN133
A	GLN133
A	GLN133
A	GLN133

---

site_id	AC8
Number of Residues	8
Details	binding site for residue EDO A 408

Chain	Residue
A	ASN23
A	ASN23
A	SER25
A	ARG63
A	HOH501
A	HOH511
A	HOH577
A	HOH695

---

site_id	AC9
Number of Residues	8
Details	binding site for residue EDO A 409

Chain	Residue
A	GLU21
A	GLU77
A	ASP78
A	LYS201
A	5DL403
A	5LD404
A	HOH504
A	HOH652

---

site_id	AD1
Number of Residues	5
Details	binding site for residue EDO A 410

Chain	Residue
A	SER36
A	ASP37
A	SER38
A	ASP50
A	HOH505

---

site_id	AD2
Number of Residues	14
Details	binding site for residue TRS A 411

Chain	Residue
A	HIS113
A	ARG161
A	ARG161
A	ARG161
A	LEU163
A	LEU163
A	HOH520
A	HOH520
A	HOH520
A	THR104
A	THR104
A	THR104
A	HIS113
A	HIS113

---

site_id	AD3
Number of Residues	12
Details	binding site for residue TRS A 412

Chain	Residue
A	ASP102
A	ASP102
A	ASP102
A	PHE103
A	PHE103
A	PHE103
A	GLN185
A	GLN185
A	GLN185
A	HOH619
A	HOH619
A	HOH619

---

site_id	AD4
Number of Residues	3
Details	binding site for residue CL A 413

Chain	Residue
A	ARG161
A	ARG161
A	ARG161

---

Functional Information from PROSITE/UniProt

site_id	PS00954
Number of Residues	14
Details	IGP_DEHYDRATASE_1 Imidazoleglycerol-phosphate dehydratase signature 1. IDdHHtnEdvALAI

Chain	Residue	Details
A	ILE70-ILE83

---

site_id	PS00955
Number of Residues	13
Details	IGP_DEHYDRATASE_2 Imidazoleglycerol-phosphate dehydratase signature 2. GkNsHHiiEAtFK

Chain	Residue	Details
A	GLY165-LYS177

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:27717128, ECO:0007744|PDB:5EKW, ECO:0007744|PDB:5EL9, ECO:0007744|PDB:5ELW

Chain	Residue	Details
A	GLU21

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:26095028, ECO:0000269|PubMed:27717128, ECO:0007744|PDB:4MU0, ECO:0007744|PDB:4MU1, ECO:0007744|PDB:4MU4, ECO:0007744|PDB:4QNJ, ECO:0007744|PDB:4QNK, ECO:0007744|PDB:5EKW, ECO:0007744|PDB:5EL9, ECO:0007744|PDB:5ELW

Chain	Residue	Details
A	HIS47
A	HIS74
A	HIS169
A	GLU173

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:26095028, ECO:0000269|PubMed:27717128, ECO:0007744|PDB:4MU0, ECO:0007744|PDB:4MU3, ECO:0007744|PDB:4MU4, ECO:0007744|PDB:4QNJ, ECO:0007744|PDB:4QNK, ECO:0007744|PDB:5ELW

Chain	Residue	Details
A	HIS73
A	GLU77
A	HIS145
A	HIS170

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:26095028, ECO:0000269|PubMed:27717128, ECO:0007744|PDB:4MU3, ECO:0007744|PDB:4MU4, ECO:0007744|PDB:4QNK, ECO:0007744|PDB:5EKW, ECO:0007744|PDB:5EL9, ECO:0007744|PDB:5ELW

Chain	Residue	Details
A	ARG99

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:26095028, ECO:0000269|PubMed:27717128, ECO:0007744|PDB:4MU4, ECO:0007744|PDB:5EKW, ECO:0007744|PDB:5EL9, ECO:0007744|PDB:5ELW

Chain	Residue	Details
A	ARG121
A	SER199

---