Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2O2Q

Crystal structure of the C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase in complex with NADP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016491	molecular_function	oxidoreductase activity
A	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B	0016491	molecular_function	oxidoreductase activity
B	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C	0016491	molecular_function	oxidoreductase activity
C	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D	0016491	molecular_function	oxidoreductase activity
D	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor

Functional Information from PDB Data

site_id	AC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG A 2001

Chain	Residue
A	NAP903

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG B 2002

Chain	Residue
B	NAP903

site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG C 2003

Chain	Residue
C	NAP903

site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG D 2004

Chain	Residue
D	NAP903

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 3001

Chain	Residue
A	LYS852
C	ARG554

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 3002

Chain	Residue
A	ARG554
C	LYS852
C	HOH3110

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 3003

Chain	Residue
B	ARG554
D	ASP851
D	LYS852
D	HOH3205

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 3004

Chain	Residue
B	LYS852
B	HOH3146
D	ARG554

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 3005

Chain	Residue
B	ARG636
B	PRO641
B	HOH3322

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 3006

Chain	Residue
A	ARG636
A	PRO641
A	HOH3470
A	HOH3473

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 3007

Chain	Residue
C	ARG636
C	PRO641

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 3008

Chain	Residue
D	ARG636
D	PRO641

site_id	BC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 B 3009

Chain	Residue
B	ARG764

site_id	BC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 C 3010

Chain	Residue
C	ARG764

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 3011

Chain	Residue
A	ARG764
A	TYR799

site_id	BC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 3012

Chain	Residue
D	ARG764

site_id	BC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 C 3013

Chain	Residue
C	LYS669
C	ARG894
C	ILE895
C	HOH3035
C	HOH3105
C	HOH3170
C	HOH3183
C	HOH3402
D	GLY881
D	LYS882

site_id	BC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 3014

Chain	Residue
A	GLY881
A	LYS882
A	HOH3028
A	HOH3249
B	LYS669
B	LEU893
B	ARG894
B	ILE895
B	HOH3065

site_id	CC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 A 3015

Chain	Residue
A	LYS669
A	LEU893
A	ARG894
A	ILE895
A	HOH3173
A	HOH3203
A	HOH3363
B	GLY881
B	LYS882
B	HOH3027

site_id	CC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 D 3016

Chain	Residue
C	GLY881
C	LYS882
D	LYS669
D	LEU893
D	ARG894
D	ILE895
D	HOH3030
D	HOH3120
D	HOH3208
D	HOH3282

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 3017

Chain	Residue
A	TYR848
C	ARG551
C	ARG554

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 3018

Chain	Residue
A	ARG551
A	ARG554
C	TYR848
C	LYS852

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 3019

Chain	Residue
B	ARG551
B	ARG554
D	TYR848

site_id	CC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 3020

Chain	Residue
B	TYR848
D	ARG551
D	ARG554

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 3021

Chain	Residue
A	ASN548
A	HOH3165
A	HOH3315
A	HOH3466
B	GLN528

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 3022

Chain	Residue
A	GLN528
B	ASN548
B	HOH3190
B	HOH3328
B	HOH3361

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 3023

Chain	Residue
D	GLN528
C	ASN548
C	HOH3252
C	HOH3294
C	HOH3491
D	LYS520

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 3024

Chain	Residue
A	ASN738
A	GLU741
A	ARG781
A	HOH3201
A	HOH3476
C	HOH3297

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 3025

Chain	Residue
B	THR445
B	ASN738
B	GLU741
B	ARG781
B	HOH3158

site_id	DC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 3026

Chain	Residue
C	ASN738
C	ARG781
C	HOH3068

site_id	DC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 3027

Chain	Residue
D	ASN738
D	ARG781
D	HOH3393
D	HOH3488

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 3028

Chain	Residue
A	LEU416
A	THR417
C	LYS415
C	ARG742

site_id	DC6
Number of Residues	37
Details	BINDING SITE FOR RESIDUE NAP A 903

Chain	Residue
A	VAL570
A	ILE571
A	TRP573
A	ASN574
A	LYS597
A	ALA599
A	GLN600
A	SER629
A	GLY630
A	GLY634
A	GLN635
A	PHE648
A	THR649
A	GLY650
A	SER651
A	VAL654
A	HIS657
A	ILE658
A	GLU673
A	LEU674
A	GLY675
A	CYS707
A	GLU804
A	PHE806
A	LEU834
A	PHE872
A	MG2001
A	HOH3128
A	HOH3139
A	HOH3148
A	HOH3149
A	HOH3199
A	HOH3200
A	HOH3288
A	HOH3322
A	HOH3325
A	HOH3364

site_id	DC7
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NAP B 903

Chain	Residue
B	VAL570
B	ILE571
B	TRP573
B	ASN574
B	LYS597
B	ALA599
B	GLN600
B	SER629
B	GLY630
B	GLY634
B	GLN635
B	PHE648
B	THR649
B	GLY650
B	SER651
B	VAL654
B	HIS657
B	ILE658
B	GLU673
B	LEU674
B	GLY675
B	CYS707
B	GLU804
B	PHE806
B	LEU834
B	PHE872
B	MG2002
B	HOH3066
B	HOH3085
B	HOH3160
B	HOH3166
B	HOH3198
B	HOH3204
B	HOH3337
B	HOH3339

site_id	DC8
Number of Residues	37
Details	BINDING SITE FOR RESIDUE NAP C 903

Chain	Residue
C	VAL570
C	ILE571
C	TRP573
C	ASN574
C	LYS597
C	ALA599
C	GLN600
C	SER629
C	GLY630
C	GLY634
C	GLN635
C	PHE648
C	THR649
C	GLY650
C	SER651
C	VAL654
C	HIS657
C	ILE658
C	GLU673
C	LEU674
C	GLY675
C	CYS707
C	GLU804
C	PHE806
C	LEU834
C	PHE872
C	MG2003
C	HOH3087
C	HOH3097
C	HOH3122
C	HOH3126
C	HOH3165
C	HOH3230
C	HOH3376
C	HOH3393
C	HOH3407
C	HOH3483

site_id	DC9
Number of Residues	36
Details	BINDING SITE FOR RESIDUE NAP D 903

Chain	Residue
D	VAL570
D	ILE571
D	TRP573
D	ASN574
D	LYS597
D	ALA599
D	GLN600
D	SER629
D	GLY630
D	GLY634
D	GLN635
D	PHE648
D	THR649
D	GLY650
D	SER651
D	VAL654
D	HIS657
D	ILE658
D	GLU673
D	LEU674
D	GLY675
D	CYS707
D	GLU804
D	PHE806
D	LEU834
D	PHE872
D	MG2004
D	HOH3062
D	HOH3076
D	HOH3114
D	HOH3164
D	HOH3170
D	HOH3229
D	HOH3295
D	HOH3358
D	HOH3368

site_id	EC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 1

Chain	Residue
A	TYR575
A	TRP582
A	ASN706
A	ILE708
A	THR866

site_id	EC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 2

Chain	Residue
B	TYR575
B	MET578
B	PHE701
B	ASN706
B	ASN864
B	THR866

site_id	EC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 3

Chain	Residue
C	TYR575
C	TRP582
C	PHE701
C	ASN706
C	ASN864
C	THR866
C	HOH3447

site_id	EC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 4

Chain	Residue
D	TYR575
D	MET578
D	PHE701
D	ASN706
D	ASN864
D	THR866

Functional Information from PROSITE/UniProt

site_id	PS00070
Number of Residues	12
Details	ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfNKGENCIAAG

Chain	Residue	Details
A	PHE700-GLY711

site_id	PS00687
Number of Residues	8
Details	ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSP

Chain	Residue	Details
A	LEU672-PRO679

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1940
Details	Region: {"description":"Aldehyde dehydrogenase domain","evidences":[{"source":"PubMed","id":"10585460","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"17302434","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"17302434","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"21540484","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"2O2Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHO","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	44
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17302434","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21540484","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2O2Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O2R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHR","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17302434","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21540484","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2O2Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RHR","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21540484","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3RHO","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	12
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"O75891","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8K009","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8R0Y6","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	4
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q3SY69","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
A	CYS707
A	ASN574
A	GLU673

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
B	CYS707
B	ASN574
B	GLU673

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
C	CYS707
C	ASN574
C	GLU673

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
D	CYS707
D	ASN574
D	GLU673

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
A	CYS707
A	LYS597
A	GLU804
A	GLU673

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
B	CYS707
B	LYS597
B	GLU804
B	GLU673

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
C	CYS707
C	LYS597
C	GLU804
C	GLU673

site_id	CSA8
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
D	CYS707
D	LYS597
D	GLU804
D	GLU673

site_id	MCSA1
Number of Residues	1
Details	M-CSA 766

Chain	Residue	Details
A	CYS707

site_id	MCSA2
Number of Residues	1
Details	M-CSA 766

Chain	Residue	Details
B	CYS707

site_id	MCSA3
Number of Residues	1
Details	M-CSA 766

Chain	Residue	Details
C	CYS707

site_id	MCSA4
Number of Residues	1
Details	M-CSA 766

Chain	Residue	Details
D	CYS707

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