Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2IZ0

PEX inhibitor-home data

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004616	molecular_function	phosphogluconate dehydrogenase (decarboxylating) activity
A	0006098	biological_process	pentose-phosphate shunt
A	0016491	molecular_function	oxidoreductase activity
A	0019521	biological_process	D-gluconate metabolic process
A	0050661	molecular_function	NADP binding
B	0004616	molecular_function	phosphogluconate dehydrogenase (decarboxylating) activity
B	0006098	biological_process	pentose-phosphate shunt
B	0016491	molecular_function	oxidoreductase activity
B	0019521	biological_process	D-gluconate metabolic process
B	0050661	molecular_function	NADP binding
C	0004616	molecular_function	phosphogluconate dehydrogenase (decarboxylating) activity
C	0006098	biological_process	pentose-phosphate shunt
C	0016491	molecular_function	oxidoreductase activity
C	0019521	biological_process	D-gluconate metabolic process
C	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B1471

Chain	Residue
B	SER128
B	GLY129
B	ILE367

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL B1472

Chain	Residue
B	ASN112
B	GLY144
B	GLN145
B	ASN177
B	HOH2084
B	HOH2274

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL C1471

Chain	Residue
C	SER128
C	GLY129
C	HIS187
C	ILE367

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL C1472

Chain	Residue
C	ASN112
C	GLY144
C	GLN145
C	ASN177
C	HOH2081

site_id	AC5
Number of Residues	26
Details	BINDING SITE FOR RESIDUE NAP A1470

Chain	Residue
A	GLY10
A	MET11
A	ALA12
A	VAL13
A	MET14
A	ASN33
A	ARG34
A	THR35
A	MET73
A	VAL74
A	GLN75
A	ALA76
A	ALA79
A	GLY101
A	ASN102
A	VAL127
A	LYS184
A	RES1471
A	HOH2484
A	HOH2486
A	HOH2488
A	HOH2489
A	HOH2490
A	HOH2491
A	HOH2492
B	GLY451

site_id	AC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE RES A1471

Chain	Residue
A	ASN102
A	LYS184
A	ASN188
A	GLU191
A	TYR192
A	ASN261
A	LYS262
A	ARG289
A	NAP1470
A	HOH2219
A	HOH2292
A	HOH2492
A	HOH2493
B	ARG447
B	PHE450
B	HIS453

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE P33 A1473

Chain	Residue
A	GLN165
A	GLU371
A	PEG1474
A	HOH2497
A	HOH2498
C	GLN47
C	P331474
C	HOH2584

site_id	AC8
Number of Residues	19
Details	BINDING SITE FOR RESIDUE ATR B1470

Chain	Residue
B	ALA12
B	ASN33
B	ARG34
B	THR35
B	LYS38
B	VAL74
B	GLN75
B	ALA79
B	THR83
B	HOH2046
B	HOH2556
B	HOH2557
B	HOH2558
B	HOH2559
B	HOH2560
B	HOH2562
B	HOH2563
B	HOH2564
B	HOH2565

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B1473

Chain	Residue
B	GLN444
B	ARG447
B	HIS453
B	THR454
B	HOH2534
B	HOH2567
B	HOH2568

site_id	BC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ATR C1470

Chain	Residue
C	LYS38
C	VAL74
C	GLN75
C	ALA79
C	THR83
C	HOH2016
C	HOH2062
C	HOH2571
C	HOH2572
C	HOH2574
C	GLY10
C	MET11
C	ASN33
C	ARG34
C	THR35

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE P33 C1474

Chain	Residue
A	PRO164
A	ASP166
A	P331473
C	PHE43
C	GLN47
C	LYS49
C	LEU51
C	HOH2085
C	HOH2579
C	HOH2582
C	HOH2583
C	HOH2584

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A1472

Chain	Residue
A	GLU23
A	SER24
A	LYS49
A	ASN50
A	HOH2494
A	HOH2495
A	HOH2496
C	ARG25

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG A1474

Chain	Residue
A	P331473
A	HOH2500
C	HOH2584

site_id	BC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL C1473

Chain	Residue
C	PRO278
C	PRO280
C	ALA288
C	ILE291
C	SER428
C	TYR429
C	SER432
C	HOH2378
C	HOH2379
C	HOH2578

Functional Information from PROSITE/UniProt

site_id	PS00461
Number of Residues	13
Details	6PGD 6-phosphogluconate dehydrogenase signature. IlDkaGNKGTGkW

Chain	Residue	Details
A	ILE255-TRP267

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: Proton acceptor => ECO:0000269\|PubMed:17222187

Chain	Residue	Details
A	LYS184
B	LYS184
C	LYS184

site_id	SWS_FT_FI2
Number of Residues	3
Details	ACT_SITE: Proton donor => ECO:0000269\|PubMed:17222187

Chain	Residue	Details
A	GLU191
B	GLU191
C	GLU191

site_id	SWS_FT_FI3
Number of Residues	15
Details	BINDING: BINDING => ECO:0000269\|PubMed:17222187

Chain	Residue	Details
A	GLY10
B	HIS453
C	GLY10
C	ASN33
C	VAL74
C	ARG447
C	HIS453
A	ASN33
A	VAL74
A	ARG447
A	HIS453
B	GLY10
B	ASN33
B	VAL74
B	ARG447

site_id	SWS_FT_FI4
Number of Residues	18
Details	BINDING: in other chain => ECO:0000269\|PubMed:17222187

Chain	Residue	Details
A	ASN102
B	TYR192
B	LYS262
B	ARG289
C	ASN102
C	SER128
C	HIS187
C	TYR192
C	LYS262
C	ARG289
A	SER128
A	HIS187
A	TYR192
A	LYS262
A	ARG289
B	ASN102
B	SER128
B	HIS187

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 2pgd

Chain	Residue	Details
A	GLY130
A	GLU191
A	LYS184
A	ASN188

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 2pgd

Chain	Residue	Details
B	GLY130
B	GLU191
B	LYS184
B	ASN188

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 2pgd

Chain	Residue	Details
C	GLY130
C	GLU191
C	LYS184
C	ASN188

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)