1H17

Pyruvate Formate-Lyase (E.coli) in complex with CoA and the substrate analog oxamate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005975	biological_process	carbohydrate metabolic process
A	0006006	biological_process	glucose metabolic process
A	0008861	molecular_function	formate C-acetyltransferase activity
A	0016020	cellular_component	membrane
A	0016740	molecular_function	transferase activity
A	0016746	molecular_function	acyltransferase activity
A	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
A	0044814	biological_process	pyruvate fermentation via PFL

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 9001

Chain	Residue
A	ALA652
A	LEU654
A	GLU700
A	GLY701
A	HOH3085
A	HOH3157

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 9002

Chain	Residue
A	HOH2588
A	HOH2912
A	GLU214
A	GLN215
A	ARG218

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 9003

Chain	Residue
A	THR80
A	ILE81
A	SER268
A	HOH2313

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 9004

Chain	Residue
A	LEU688
A	HOH2298
A	HOH3133
A	PG49013

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 9005

Chain	Residue
A	GLN589
A	PRO599
A	HOH2550
A	HOH3021

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 9006

Chain	Residue
A	MET58
A	LYS62
A	HOH2088
A	HOH2243
A	HOH3191

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE NA A 9007

Chain	Residue
A	GLN269
A	HOH2136
A	HOH2138
A	HOH2921
A	HOH2922
A	HOH2923
A	HOH3252
A	HOH3253
A	HOH3254

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG A 9008

Chain	Residue
A	COA1000
A	HOH2491
A	HOH3246

---

site_id	AC9
Number of Residues	27
Details	BINDING SITE FOR RESIDUE COA A 1000

Chain	Residue
A	LYS116
A	MET117
A	ASN145
A	GLN146
A	PHE149
A	ASP150
A	TYR152
A	ARG160
A	LYS161
A	PHE200
A	HIS227
A	HOH2491
A	HOH2746
A	HOH3233
A	HOH3234
A	HOH3235
A	HOH3236
A	HOH3237
A	HOH3238
A	HOH3240
A	HOH3241
A	HOH3242
A	HOH3243
A	HOH3244
A	HOH3245
A	HOH3247
A	MG9008

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE OXM A 1001

Chain	Residue
A	ARG176
A	ALA272
A	ALA273
A	CYS418
A	PHE432
A	ARG435
A	LEU604
A	ILE606
A	HOH3248

---

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE DTL A 9009

Chain	Residue
A	THR138
A	GLU139
A	LYS142
A	GLU225
A	ARG228
A	GLN232
A	HOH2451
A	HOH2452
A	HOH3249
A	HOH3250
A	HOH3251
A	HOH3253

---

site_id	BC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DTL A 9010

Chain	Residue
A	HIS68
A	PRO70
A	TYR125
A	ASP324
A	ASP330
A	SER741
A	HOH2282
A	HOH3256
A	HOH3257
A	HOH3258
A	HOH3259

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PG4 A 9011

Chain	Residue
A	GLU40
A	LEU43
A	HOH3260

---

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PG4 A 9012

Chain	Residue
A	ALA198
A	GLN199
A	SER202
A	ARG516
A	ASP517
A	HOH2941
A	HOH3263
A	HOH3265

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PG4 A 9013

Chain	Residue
A	LEU648
A	THR649
A	LEU688
A	GLY691
A	TYR692
A	HOH3267
A	NA9004

---

Functional Information from PROSITE/UniProt

site_id	PS00850
Number of Residues	9
Details	GLY_RADICAL_1 Glycine radical domain signature. TiRVSGYAV

Chain	Residue	Details
A	THR729-VAL737

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	622
Details	Domain: {"description":"PFL","evidences":[{"source":"PROSITE-ProRule","id":"PRU00887","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	128
Details	Domain: {"description":"Glycine radical","evidences":[{"source":"PROSITE-ProRule","id":"PRU00493","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Active site: {"description":"S-acetylcysteine intermediate","evidences":[{"source":"PubMed","id":"1310545","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Active site: {"description":"Cysteine radical intermediate","evidences":[{"source":"PubMed","id":"1310545","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"PubMed","id":"21151122","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"PubMed","id":"21151122","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"18723842","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	Modified residue: {"description":"Glycine radical","evidences":[{"source":"PubMed","id":"1310545","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 30

Chain	Residue	Details
A	TRP333	hydrogen bond donor, radical stabiliser
A	CYS418	covalently attached, hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, leaving group (radical), radical combinant
A	CYS419	hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, hydrogen radical relay
A	GLY734	hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor

---

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 2pfl

Chain	Residue	Details
A	CYS419
A	GLY734
A	TRP333
A	CYS418

---