Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2GH5

Crystal Structure of human Glutathione Reductase complexed with a Fluoro-Analogue of the Menadione Derivative M5

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004362	molecular_function	glutathione-disulfide reductase (NADPH) activity
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0005829	cellular_component	cytosol
A	0006749	biological_process	glutathione metabolic process
A	0009055	molecular_function	electron transfer activity
A	0009897	cellular_component	external side of plasma membrane
A	0016491	molecular_function	oxidoreductase activity
A	0016668	molecular_function	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
A	0034599	biological_process	cellular response to oxidative stress
A	0045454	biological_process	cell redox homeostasis
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0050661	molecular_function	NADP binding
A	0070062	cellular_component	extracellular exosome
A	0098869	biological_process	cellular oxidant detoxification
B	0004362	molecular_function	glutathione-disulfide reductase (NADPH) activity
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0005829	cellular_component	cytosol
B	0006749	biological_process	glutathione metabolic process
B	0009055	molecular_function	electron transfer activity
B	0009897	cellular_component	external side of plasma membrane
B	0016491	molecular_function	oxidoreductase activity
B	0016668	molecular_function	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
B	0034599	biological_process	cellular response to oxidative stress
B	0045454	biological_process	cell redox homeostasis
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0050661	molecular_function	NADP binding
B	0070062	cellular_component	extracellular exosome
B	0098869	biological_process	cellular oxidant detoxification

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 A 5703

Chain	Residue
A	ARG218
A	HIS219
A	HOH5990

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 B 5704

Chain	Residue
B	ARG218
B	HIS219
B	PO45705
B	HOH5952

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 B 5705

Chain	Residue
B	ARG224
B	GOL803
B	PO45704
B	HOH5721
B	HOH5882
B	HOH5883
B	ARG218
B	HIS219

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 A 5706

Chain	Residue
A	ARG218
A	HIS219
A	ARG224
A	GOL808
A	HOH5722
A	HOH5895
A	HOH5900

site_id	AC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE ELI A 958

Chain	Residue
A	SER30
A	LEU33
A	ALA34
A	ARG37
A	GLY55
A	CYS58
A	VAL59
A	LEU110
A	TYR114
A	THR339
A	ARG347
A	HOH5822
B	HIS467
B	GOL806

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE ELI B 958

Chain	Residue
A	HIS467
B	SER30
B	ALA34
B	ARG37
B	GLY55
B	CYS58
B	VAL59
B	LEU110
B	TYR114
B	THR339
B	ARG347

site_id	AC7
Number of Residues	38
Details	BINDING SITE FOR RESIDUE FAD A 479

Chain	Residue
A	GLY27
A	GLY29
A	SER30
A	GLY31
A	VAL49
A	GLU50
A	SER51
A	HIS52
A	GLY56
A	THR57
A	CYS58
A	GLY62
A	CYS63
A	LYS66
A	GLY128
A	HIS129
A	ALA130
A	ALA155
A	THR156
A	GLY157
A	TYR197
A	ARG291
A	GLY330
A	ASP331
A	LEU337
A	LEU338
A	THR339
A	PRO340
A	HOH5707
A	HOH5708
A	HOH5713
A	HOH5779
A	HOH5821
A	HOH5987
A	HOH6030
A	HOH6049
B	HIS467
B	PRO468

site_id	AC8
Number of Residues	39
Details	BINDING SITE FOR RESIDUE FAD B 479

Chain	Residue
B	LYS66
B	GLY128
B	HIS129
B	ALA130
B	ALA155
B	THR156
B	GLY157
B	TYR197
B	ARG291
B	LEU298
B	GLY330
B	ASP331
B	LEU337
B	LEU338
B	THR339
B	PRO340
B	HOH5708
B	HOH5723
B	HOH5735
B	HOH5889
B	HOH5891
B	HOH5892
B	HOH5906
B	HOH5920
B	HOH5967
A	HIS467
A	PRO468
B	GLY27
B	GLY29
B	SER30
B	GLY31
B	VAL49
B	GLU50
B	SER51
B	HIS52
B	GLY56
B	THR57
B	CYS58
B	CYS63

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 801

Chain	Residue
B	SER228
B	MET229
B	THR232
B	LYS420
B	HOH5872

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 802

Chain	Residue
B	LEU54
B	ARG127

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 803

Chain	Residue
B	ALA195
B	LEU223
B	ARG224
B	SER225
B	PHE226
B	PO45705
B	HOH5884

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 805

Chain	Residue
B	THR404
B	HOH5840

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 806

Chain	Residue
A	GOL813
A	ELI958
B	HIS467
B	GLU472
B	GLU473

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 808

Chain	Residue
A	ALA195
A	GLY196
A	ALA288
A	PO45706
A	HOH5738
A	HOH5902
A	HOH6004

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 809

Chain	Residue
A	ASN95
A	ARG97

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 810

Chain	Residue
A	PHE403
A	THR404

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 811

Chain	Residue
A	THR476
A	ARG478
B	ARG347
B	HOH5863

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 812

Chain	Residue
B	GLU77
B	PHE78
B	HIS374
B	PRO375
B	ARG413
B	HOH5765

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 813

Chain	Residue
A	ARG347
A	HOH5997
B	GOL806

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 817

Chain	Residue
A	GLU77
A	HIS374
A	ARG413
A	THR415
A	HOH5762
A	HOH5975

Functional Information from PROSITE/UniProt

site_id	PS00076
Number of Residues	11
Details	PYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGtCVnvGCVP

Chain	Residue	Details
A	GLY55-PRO65

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"16910673","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2GH5","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9546215","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DNC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GSN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	14
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16910673","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"3656429","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8626496","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9174360","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9546215","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1BWC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DNC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GSN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1K4Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XAN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2AAQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GH5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DJG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DJJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GRS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4GR1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5GRT","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9546215","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DNC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GSN","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16910673","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"3656429","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8626496","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9174360","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9546215","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1BWC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1K4Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2AAQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DJJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GRS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5GRT","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9546215","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DNC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GSN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	10
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1GRB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DJG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DJJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3DJG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DJJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1GRB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DJG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3DJG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16910673","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18638483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2585516","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"3656429","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8626496","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9174360","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9546215","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1BWC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DNC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1GSN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1K4Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XAN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2AAQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GH5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DJG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DJJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DK9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GRS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4GR1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5GRT","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P47791","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1get

Chain	Residue	Details
A	HIS467
A	GLU472
B	CYS58
B	CYS63

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1get

Chain	Residue	Details
A	CYS58
A	CYS63
B	HIS467
B	GLU472

site_id	MCSA1
Number of Residues	7
Details	M-CSA 6

Chain	Residue	Details
A	CYS58	electrofuge, electrophile, nucleofuge, nucleophile
A	CYS63	electrofuge, electrophile, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor
A	LYS66	activator, electrostatic stabiliser, hydrogen bond donor
A	TYR197	activator
A	GLU201	activator, electrostatic stabiliser, hydrogen bond acceptor
A	HIS467	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	GLU472	activator, electrostatic stabiliser, hydrogen bond acceptor

site_id	MCSA2
Number of Residues	7
Details	M-CSA 6

Chain	Residue	Details
B	CYS58	electrofuge, electrophile, nucleofuge, nucleophile
B	CYS63	electrofuge, electrophile, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor
B	LYS66	activator, electrostatic stabiliser, hydrogen bond donor
B	TYR197	activator
B	GLU201	activator, electrostatic stabiliser, hydrogen bond acceptor
B	HIS467	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	GLU472	activator, electrostatic stabiliser, hydrogen bond acceptor

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