Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3RHQ

Crystal structure of the C707A mutant of C-Terminal domain of 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	37
Details	BINDING SITE FOR RESIDUE NAP A 903

Chain	Residue
A	VAL570
A	GLY630
A	GLY634
A	GLN635
A	PHE648
A	THR649
A	GLY650
A	SER651
A	VAL654
A	HIS657
A	ILE658
A	ILE571
A	GLU673
A	LEU674
A	GLY675
A	ALA707
A	GLU804
A	PHE806
A	LEU834
A	PHE872
A	HOH918
A	HOH935
A	PRO572
A	HOH950
A	HOH992
A	HOH1123
A	HOH1139
A	HOH1182
A	HOH1394
A	HOH1444
A	HOH1588
A	TRP573
A	ASN574
A	LYS597
A	ALA599
A	GLN600
A	SER629

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	3
Details	BINDING SITE FOR RESIDUE SO4 A 2

Chain	Residue
A	HOH287
A	ARG554
C	LYS852

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 6

Chain	Residue
A	ARG636
A	PRO641
A	HOH1483
A	HOH1521

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 11

Chain	Residue
A	ARG764
A	TYR799
A	HOH1966

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 A 15

Chain	Residue
A	HOH57
A	LYS669
A	LEU893
A	ARG894
A	ILE895
A	HOH970
A	HOH1235
A	HOH1867
B	GLY881
B	LYS882

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 18

Chain	Residue
A	ARG551
A	ARG554
A	HOH1835
C	TYR848

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 21

Chain	Residue
A	ASN548
A	HOH1035
A	HOH1271
B	GLN528

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	HOH994
A	HOH1533
C	HOH1087

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

Chain	Residue
A	TYR575
A	ASN706
A	THR866
A	HOH1922
A	HOH2000

site_id	BC2
Number of Residues	38
Details	BINDING SITE FOR RESIDUE NAP B 903

Chain	Residue
B	HIS657
B	ILE658
B	GLU673
B	LEU674
B	GLY675
B	ALA707
B	GLU804
B	PHE806
B	LEU834
B	PHE872
B	HOH977
B	HOH984
B	HOH1010
B	HOH1186
B	HOH1202
B	HOH1297
B	HOH1443
B	HOH1684
B	HOH1707
B	HOH255
B	HOH328
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
B	GLY650
B	SER651
B	VAL654

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 3

Chain	Residue
B	ARG554
B	HOH1739
D	ASP851
D	LYS852
D	HOH991

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 4

Chain	Residue
B	LYS852
B	HOH957
B	HOH1726
D	ARG554

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 5

Chain	Residue
B	ARG636
B	PRO641

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 9

Chain	Residue
B	ARG764
B	HOH1920

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 14

Chain	Residue
A	HOH39
A	GLY881
A	LYS882
B	HOH254
B	LYS669
B	ARG894
B	ILE895
B	HOH1389

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 19

Chain	Residue
B	ARG551
B	ARG554
B	HOH1423
B	HOH1747
D	TYR848

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 22

Chain	Residue
A	GLN528
B	ASN548
B	HOH936
B	HOH979
B	HOH1097

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 25

Chain	Residue
B	THR445
B	ASN738
B	GLU741
B	ARG781
B	HOH973
B	HOH1708

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 30

Chain	Residue
B	TYR575
B	ASN706
B	THR866
B	HOH2001

site_id	CC3
Number of Residues	39
Details	BINDING SITE FOR RESIDUE NAP C 903

Chain	Residue
C	HOH200
C	HOH244
C	HOH311
C	HOH332
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	HOH936
C	HOH946
C	HOH1020
C	HOH1114
C	HOH1408
C	HOH1505
C	HOH1589
C	HOH1953

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 7

Chain	Residue
C	ARG636
C	PRO641
C	HOH1499
C	HOH1810

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 10

Chain	Residue
C	ARG764
C	HOH1913

site_id	CC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 C 13

Chain	Residue
C	HOH45
C	HOH280
C	LYS669
C	ARG894
C	ILE895
C	HOH942
C	HOH1066
D	GLY881
D	LYS882

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 17

Chain	Residue
C	ARG551
C	ARG554
C	HOH1813

site_id	CC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 C 23

Chain	Residue
C	ASN548
C	HOH1043
C	HOH1049
C	HOH1085
C	HOH1842
D	LYS520
D	GLN528

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 26

Chain	Residue
C	HOH130
C	ASN738
C	ARG781

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 28

Chain	Residue
A	LEU416
A	THR417
C	LYS415
C	ARG742
C	HOH1968

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 31

Chain	Residue
C	TYR575
C	ASN706
C	THR866
C	HOH2002

site_id	DC3
Number of Residues	37
Details	BINDING SITE FOR RESIDUE NAP D 903

Chain	Residue
D	HOH161
D	HOH228
D	HOH369
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	HOH948
D	HOH1007
D	HOH1213
D	HOH1216
D	HOH1322
D	HOH1345
D	HOH1662

site_id	DC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 8

Chain	Residue
D	ARG636
D	PRO641
D	HOH1959

site_id	DC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 12

Chain	Residue
D	ARG764

site_id	DC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 D 16

Chain	Residue
C	GLY881
C	LYS882
C	HOH1851
D	HOH53
D	LYS669
D	LEU893
D	ARG894
D	ILE895
D	HOH905
D	HOH1037
D	HOH1198

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 20

Chain	Residue
B	TYR848
D	ARG551
D	ARG554

site_id	DC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 27

Chain	Residue
D	THR445
D	ASN738
D	GLU741
D	ARG781
D	HOH983
D	HOH1575

site_id	DC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 32

Chain	Residue
D	TYR575
D	MET578
D	TRP582
D	ASN706
D	THR866
D	HOH1352
D	HOH2003

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)