5MSV

Structure of the phosphopantetheine modified PCP-R didomain of carboxylic acid reductase (CAR) in complex with NADP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0001676	biological_process	long-chain fatty acid metabolic process
A	0004467	molecular_function	long-chain fatty acid-CoA ligase activity
A	0005524	molecular_function	ATP binding
A	0006629	biological_process	lipid metabolic process
A	0016020	cellular_component	membrane
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
A	0031177	molecular_function	phosphopantetheine binding
A	0050661	molecular_function	NADP binding
B	0000166	molecular_function	nucleotide binding
B	0001676	biological_process	long-chain fatty acid metabolic process
B	0004467	molecular_function	long-chain fatty acid-CoA ligase activity
B	0005524	molecular_function	ATP binding
B	0006629	biological_process	lipid metabolic process
B	0016020	cellular_component	membrane
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
B	0031177	molecular_function	phosphopantetheine binding
B	0050661	molecular_function	NADP binding
C	0000166	molecular_function	nucleotide binding
C	0001676	biological_process	long-chain fatty acid metabolic process
C	0004467	molecular_function	long-chain fatty acid-CoA ligase activity
C	0005524	molecular_function	ATP binding
C	0006629	biological_process	lipid metabolic process
C	0016020	cellular_component	membrane
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
C	0031177	molecular_function	phosphopantetheine binding
C	0050661	molecular_function	NADP binding
D	0000166	molecular_function	nucleotide binding
D	0001676	biological_process	long-chain fatty acid metabolic process
D	0004467	molecular_function	long-chain fatty acid-CoA ligase activity
D	0005524	molecular_function	ATP binding
D	0006629	biological_process	lipid metabolic process
D	0016020	cellular_component	membrane
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
D	0031177	molecular_function	phosphopantetheine binding
D	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue PNS A 1201

Chain	Residue
A	ASP701
A	GLN1015
A	ARG1018
A	HOH1336
A	HOH1356
A	HOH1459
A	SER702
A	VAL898
A	ASN899
A	HIS900
A	VAL901
A	TYR970
A	PRO1013
A	ASP1014

---

site_id	AC2
Number of Residues	32
Details	binding site for residue NAP A 1202

Chain	Residue
A	GLY799
A	ASN801
A	GLY802
A	TRP803
A	LEU804
A	ARG828
A	ARG838
A	ASP868
A	PHE869
A	SER894
A	GLY895
A	ALA896
A	VAL898
A	LEU933
A	SER934
A	TYR970
A	LYS974
A	SER997
A	ASN1011
A	HOH1321
A	HOH1336
A	HOH1339
A	HOH1345
A	HOH1358
A	HOH1388
A	HOH1396
A	HOH1408
A	HOH1421
A	HOH1438
A	HOH1442
A	HOH1449
A	HOH1451

---

site_id	AC3
Number of Residues	32
Details	binding site for residue NAP B 1202

Chain	Residue
B	GLY799
B	ASN801
B	GLY802
B	TRP803
B	LEU804
B	ARG828
B	ARG838
B	ASP868
B	PHE869
B	SER894
B	GLY895
B	ALA896
B	VAL898
B	LEU933
B	SER934
B	TYR970
B	LYS974
B	SER997
B	ASN1011
B	HOH1303
B	HOH1309
B	HOH1316
B	HOH1340
B	HOH1345
B	HOH1350
B	HOH1360
B	HOH1369
B	HOH1375
B	HOH1413
B	HOH1422
B	HOH1448
B	HOH1450

---

site_id	AC4
Number of Residues	31
Details	binding site for residue NAP C 1202

Chain	Residue
C	HOH1333
C	HOH1335
C	HOH1340
C	HOH1349
C	HOH1368
C	HOH1370
C	HOH1402
C	HOH1406
C	HOH1408
C	HOH1421
C	GLY799
C	ASN801
C	GLY802
C	TRP803
C	LEU804
C	ARG828
C	ARG838
C	ASP868
C	PHE869
C	SER894
C	GLY895
C	ALA896
C	VAL898
C	LEU933
C	SER934
C	TYR970
C	LYS974
C	SER997
C	ASN1011
C	HOH1309
C	HOH1316

---

site_id	AC5
Number of Residues	29
Details	binding site for residue NAP D 1202

Chain	Residue
D	GLY799
D	ASN801
D	GLY802
D	TRP803
D	LEU804
D	ARG828
D	ARG838
D	ASP868
D	PHE869
D	SER894
D	GLY895
D	ALA896
D	VAL898
D	LEU933
D	SER934
D	TYR970
D	LYS974
D	SER997
D	ASN1011
D	HOH1310
D	HOH1327
D	HOH1339
D	HOH1345
D	HOH1366
D	HOH1368
D	HOH1387
D	HOH1403
D	HOH1418
D	HOH1446

---

site_id	AC6
Number of Residues	15
Details	binding site for Di-peptide PNS B 1201 and SER B 702

Chain	Residue
B	ASP701
B	LEU703
B	ALA705
B	LEU706
B	ASN899
B	HIS900
B	VAL901
B	TYR970
B	PRO1013
B	ASP1014
B	GLN1015
B	ARG1018
B	HOH1321
B	HOH1340
B	HOH1375

---

site_id	AC7
Number of Residues	13
Details	binding site for Di-peptide PNS C 1201 and SER C 702

Chain	Residue
C	ASP701
C	LEU703
C	ALA705
C	LEU706
C	ASN899
C	HIS900
C	MET999
C	PRO1013
C	ASP1014
C	GLN1015
C	ARG1018
C	HOH1350
C	HOH1408

---

site_id	AC8
Number of Residues	13
Details	binding site for Di-peptide PNS D 1201 and SER D 702

Chain	Residue
D	ASP701
D	LEU703
D	ALA705
D	LEU706
D	VAL898
D	ASN899
D	HIS900
D	MET999
D	PRO1013
D	ASP1014
D	GLN1015
D	ARG1018
D	HOH1380

---

Functional Information from PROSITE/UniProt

site_id	PS00455
Number of Residues	12
Details	AMP_BINDING Putative AMP-binding domain signature. LIYTSGSTGtPK

Chain	Residue	Details
A	LEU262-LYS273

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	44
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_02247","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"28719588","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5MSP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5MSR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5MSV","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_02247","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"28719588","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5MSR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5MSV","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Modified residue: {"description":"O-(pantetheine 4'-phosphoryl)serine","evidences":[{"source":"HAMAP-Rule","id":"MF_02247","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"28719588","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5MSV","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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