4GO2

Crystal structure of the c-terminal domain of 10'formyltetrahydrofolate dehydrogenase in complex with Thio-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	2
Details	BINDING SITE FOR RESIDUE SO4 A 3001

Chain	Residue
A	LYS852
C	ARG554

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 3002

Chain	Residue
A	ARG636
A	PRO641

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 3003

Chain	Residue
A	ARG764
A	TYR799

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 3004

Chain	Residue
A	ARG551
A	ARG554
C	TYR848

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 3005

Chain	Residue
A	ASN548
B	GLN528

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 3006

Chain	Residue
A	ASN738
A	GLU741
A	ARG781
A	HOH3265
C	HOH1356

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 3007

Chain	Residue
A	LYS669
A	LEU893
A	ARG894
A	ILE895
A	HOH3240
A	HOH3267
B	GLY881
B	LYS882
B	HOH1102

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 3008

Chain	Residue
A	TYR575
A	ASN706
A	CYS707
A	ASN864
A	THR866

---

site_id	AC9
Number of Residues	29
Details	BINDING SITE FOR RESIDUE TAP A 3009

Chain	Residue
A	VAL570
A	ILE571
A	PRO572
A	TRP573
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	GLY675
A	CYS707
A	GLU804
A	PHE806
A	HOH3216
A	HOH3264
A	HOH3345
A	HOH3346
A	HOH3347
A	HOH3348

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 1001

Chain	Residue
B	ARG554
D	ASP851
D	LYS852
D	HOH1263

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1002

Chain	Residue
B	ASP851
B	LYS852
D	ARG554

---

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 1003

Chain	Residue
B	ARG636
B	PRO641

---

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 1004

Chain	Residue
B	ARG764
B	TYR799

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 1005

Chain	Residue
B	ARG551
B	ARG554

---

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1006

Chain	Residue
A	GLN528
B	ASN548
B	HOH1264

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 1007

Chain	Residue
B	ASN738
B	GLU741
B	ARG781
B	HOH1232

---

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 B 1008

Chain	Residue
A	GLY881
A	LYS882
A	HOH3104
B	LYS669
B	LEU893
B	ARG894
B	ILE895
B	HOH1141
B	HOH1313

---

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 1009

Chain	Residue
B	TYR575
B	ASN706
B	ASN864
B	THR866

---

site_id	CC1
Number of Residues	27
Details	BINDING SITE FOR RESIDUE TAP B 1010

Chain	Residue
B	GLY630
B	GLY634
B	GLN635
B	PHE648
B	THR649
B	GLY650
B	SER651
B	VAL654
B	HIS657
B	ILE658
B	GLU673
B	GLY675
B	CYS707
B	GLU804
B	PHE806
B	HOH1142
B	HOH1161
B	HOH1234
B	HOH1346
B	HOH1347
B	VAL570
B	ILE571
B	TRP573
B	LYS597
B	ALA599
B	GLN600
B	SER629

---

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 1001

Chain	Residue
A	ARG554
C	LYS852
C	HOH1183

---

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 1002

Chain	Residue
C	ARG636
C	PRO641

---

site_id	CC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 C 1003

Chain	Residue
C	ARG764

---

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 1004

Chain	Residue
C	ARG551
C	ARG554

---

site_id	CC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 1005

Chain	Residue
C	ASN738
C	ARG781
C	HOH1143

---

site_id	CC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 C 1006

Chain	Residue
C	LYS669
C	LEU893
C	ARG894
C	ILE895
C	HOH1178
C	HOH1243
D	GLY881
D	LYS882
D	HOH1103

---

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 1007

Chain	Residue
A	LEU416
A	THR417
C	LYS415
C	ARG742

---

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1008

Chain	Residue
C	TYR575
C	ASN706
C	ILE708
C	ASN864
C	THR866

---

site_id	DC1
Number of Residues	28
Details	BINDING SITE FOR RESIDUE TAP C 1009

Chain	Residue
C	VAL570
C	ILE571
C	TRP573
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	GLY675
C	CYS707
C	GLU804
C	PHE806
C	HOH1162
C	HOH1196
C	HOH1237
C	HOH1378
C	HOH1382
C	HOH1383

---

site_id	DC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 1001

Chain	Residue
D	ARG636
D	PRO641

---

site_id	DC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 1002

Chain	Residue
D	ARG764

---

site_id	DC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 1003

Chain	Residue
B	TYR848
D	ARG551
D	ARG554

---

site_id	DC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 1004

Chain	Residue
C	ASN548
D	GLN528
D	HOH1307

---

site_id	DC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 1005

Chain	Residue
D	THR445
D	ASN738
D	ARG781

---

site_id	DC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 D 1006

Chain	Residue
C	GLY881
C	LYS882
C	HOH1109
D	LYS669
D	LEU893
D	ARG894
D	ILE895
D	HOH1266

---

site_id	DC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL D 1007

Chain	Residue
D	TYR575
D	ASN706
D	THR866

---

site_id	DC9
Number of Residues	28
Details	BINDING SITE FOR RESIDUE TAP D 1008

Chain	Residue
D	VAL570
D	ILE571
D	PRO572
D	TRP573
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	GLY675
D	CYS707
D	GLU804
D	PHE806
D	HOH1132
D	HOH1145
D	HOH1182
D	HOH1344
D	HOH1345

---

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	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

---