Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3RHR

Crystal structure of the C707A mutant of the C-Terminal domain of 10'FORMYLTETRAHYDROFOLATE DEHYDROGENASE in complex with NADPH

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	37
Details	BINDING SITE FOR RESIDUE NDP A 903

Chain	Residue
A	HOH33
A	SER629
A	GLY630
A	GLY634
A	GLN635
A	PHE648
A	THR649
A	GLY650
A	SER651
A	VAL654
A	HIS657
A	VAL570
A	ILE658
A	GLU673
A	LEU674
A	GLY675
A	ALA707
A	GLU804
A	PHE806
A	LEU834
A	PHE872
A	HOH926
A	ILE571
A	HOH942
A	HOH952
A	HOH953
A	HOH1029
A	HOH1030
A	HOH1068
A	HOH1207
A	HOH1325
A	PRO572
A	TRP573
A	ASN574
A	LYS597
A	ALA599
A	GLN600

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1

Chain	Residue
A	ASP851
A	LYS852
C	ARG554

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 6

Chain	Residue
A	ARG636
A	PRO641
A	HOH1635
A	HOH1646

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 11

Chain	Residue
A	ARG764
A	TYR799

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 A 15

Chain	Residue
A	LYS669
A	LEU893
A	ARG894
A	ILE895
A	HOH991
A	HOH1034
A	HOH1316
B	HOH60
B	GLY881
B	LYS882

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 18

Chain	Residue
A	ARG551
A	ARG554
A	HOH1712
C	LYS852

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 21

Chain	Residue
A	ASN548
A	HOH975
A	HOH976
A	HOH1186
A	HOH1767
B	GLN528

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 22

Chain	Residue
A	GLN528
A	HOH1289
A	HOH1292
B	ASN548
B	HOH1019

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 24

Chain	Residue
A	THR445
A	ASN738
A	GLU741
A	ARG781
A	HOH1032
C	HOH974
C	HOH1524

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 29

Chain	Residue
A	TYR575
A	MET578
A	ASN706
A	THR866
A	HOH1675

site_id	BC2
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NDP B 903

Chain	Residue
B	GLY650
B	SER651
B	VAL654
B	HIS657
B	ILE658
B	GLU673
B	LEU674
B	GLY675
B	ALA707
B	GLU804
B	PHE806
B	LEU834
B	PHE872
B	HOH981
B	HOH990
B	HOH1030
B	HOH1040
B	HOH1321
B	HOH1332
B	HOH262
B	HOH340
B	VAL570
B	ILE571
B	PRO572
B	TRP573
B	ASN574
B	LYS597
B	ALA599
B	GLN600
B	SER629
B	GLY630
B	GLY634
B	GLN635
B	PHE648
B	THR649

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 4

Chain	Residue
B	ASP851
B	LYS852
B	HOH962
D	ARG554

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 5

Chain	Residue
B	ARG636
B	PRO641

site_id	BC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 B 9

Chain	Residue
B	ARG764

site_id	BC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 B 14

Chain	Residue
A	HOH42
A	GLY881
A	LYS882
B	HOH261
B	LYS669
B	LEU893
B	ARG894
B	ILE895
B	HOH954
B	HOH1738

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 19

Chain	Residue
B	ARG551
B	ARG554
D	TYR848

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 25

Chain	Residue
B	ASN738
B	GLU741
B	ARG781
B	HOH979
B	HOH1766

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 30

Chain	Residue
B	TYR575
B	ASN706
B	THR866
B	HOH1676

site_id	CC1
Number of Residues	38
Details	BINDING SITE FOR RESIDUE NDP C 903

Chain	Residue
C	HOH34
C	HOH205
C	HOH250
C	HOH322
C	HOH344
C	VAL570
C	ILE571
C	PRO572
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	ALA707
C	GLU804
C	PHE806
C	LEU834
C	PHE872
C	HOH944
C	HOH1025
C	HOH1320
C	HOH1365
C	HOH1415
C	HOH1613

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 2

Chain	Residue
A	ARG554
C	HOH296
C	LYS852

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 7

Chain	Residue
C	ARG636
C	PRO641

site_id	CC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 C 10

Chain	Residue
C	ARG764

site_id	CC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 C 13

Chain	Residue
C	HOH289
C	LYS669
C	ARG894
C	ILE895
C	HOH952
C	HOH969
C	HOH1392
D	HOH48
D	GLY881
D	LYS882

site_id	CC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 17

Chain	Residue
C	ARG551
C	ARG554
C	HOH1701

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 26

Chain	Residue
C	HOH133
C	THR445
C	ASN738
C	ARG781
C	HOH1719

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 28

Chain	Residue
A	LEU416
A	THR417
C	LYS415
C	ARG742

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 31

Chain	Residue
C	TYR575
C	ASN706
C	THR866
C	HOH1677

site_id	DC1
Number of Residues	37
Details	BINDING SITE FOR RESIDUE NDP D 903

Chain	Residue
D	HOH35
D	HOH164
D	HOH234
D	HOH384
D	VAL570
D	ILE571
D	PRO572
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	ALA707
D	GLU804
D	PHE806
D	LEU834
D	PHE872
D	HOH934
D	HOH974
D	HOH980
D	HOH1066
D	HOH1081
D	HOH1315

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 3

Chain	Residue
B	ARG554
D	ASP851
D	LYS852
D	HOH1026

site_id	DC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 8

Chain	Residue
D	ARG636
D	PRO641
D	HOH1680

site_id	DC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 12

Chain	Residue
D	ARG764

site_id	DC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 D 16

Chain	Residue
C	GLY881
C	LYS882
D	HOH56
D	LYS669
D	LEU893
D	ARG894
D	ILE895
D	HOH910
D	HOH1031
D	HOH1055

site_id	DC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 20

Chain	Residue
B	TYR848
D	ARG551
D	ARG554

site_id	DC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 23

Chain	Residue
C	ASN548
D	LYS520
D	GLN528
D	HOH964
D	HOH1049
D	HOH1640

site_id	DC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 27

Chain	Residue
D	THR445
D	ASN738
D	ARG781
D	HOH1408

site_id	DC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D 32

Chain	Residue
D	TYR575
D	ASN706
D	THR866
D	HOH1678

Functional Information from PROSITE/UniProt

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	MCSA1
Number of Residues	1
Details	M-CSA 766

Chain	Residue	Details
A	ALA707

site_id	MCSA2
Number of Residues	1
Details	M-CSA 766

Chain	Residue	Details
B	ALA707

site_id	MCSA3
Number of Residues	1
Details	M-CSA 766

Chain	Residue	Details
C	ALA707

site_id	MCSA4
Number of Residues	1
Details	M-CSA 766

Chain	Residue	Details
D	ALA707

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