2YIM

The enolisation chemistry of a thioester-dependent racemase: the 1.4 A crystal structure of a complex with a planar reaction intermediate analogue

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0006629	biological_process	lipid metabolic process
A	0006637	biological_process	acyl-CoA metabolic process
A	0008111	molecular_function	alpha-methylacyl-CoA racemase activity
A	0016853	molecular_function	isomerase activity
A	0042803	molecular_function	protein homodimerization activity
B	0003824	molecular_function	catalytic activity
B	0006629	biological_process	lipid metabolic process
B	0006637	biological_process	acyl-CoA metabolic process
B	0008111	molecular_function	alpha-methylacyl-CoA racemase activity
B	0016853	molecular_function	isomerase activity
B	0042803	molecular_function	protein homodimerization activity
C	0003824	molecular_function	catalytic activity
C	0006629	biological_process	lipid metabolic process
C	0006637	biological_process	acyl-CoA metabolic process
C	0008111	molecular_function	alpha-methylacyl-CoA racemase activity
C	0016853	molecular_function	isomerase activity
C	0042803	molecular_function	protein homodimerization activity
D	0003824	molecular_function	catalytic activity
D	0006629	biological_process	lipid metabolic process
D	0006637	biological_process	acyl-CoA metabolic process
D	0008111	molecular_function	alpha-methylacyl-CoA racemase activity
D	0016853	molecular_function	isomerase activity
D	0042803	molecular_function	protein homodimerization activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 1361

Chain	Residue
A	ALA230
A	HIS282
A	ASP283
A	HOH2406
A	HOH2509

---

site_id	AC2
Number of Residues	32
Details	BINDING SITE FOR RESIDUE MC4 A 1363

Chain	Residue
A	LEU61
A	LYS62
A	GLY83
A	TYR84
A	ARG85
A	VAL88
A	ARG91
A	LEU92
A	GLY125
A	HIS126
A	ASP127
A	TYR130
A	ASP156
A	HOH2025
A	HOH2046
A	HOH2110
A	HOH2131
A	HOH2140
A	HOH2149
A	HOH2151
A	HOH2245
A	HOH2510
A	HOH2511
A	HOH2512
A	HOH2513
A	HOH2514
A	HOH2515
A	HOH2516
A	ILE16
A	ARG38
A	ALA59
A	ASP60

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 B 1361

Chain	Residue
A	HIS308
A	ASN309
B	ARG233
B	HOH2258

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 1362

Chain	Residue
A	THR209
A	ASP210
A	THR211
B	THR209
B	ASP210
B	HOH2223
B	HOH2235

---

site_id	AC5
Number of Residues	33
Details	BINDING SITE FOR RESIDUE MC4 B 1363

Chain	Residue
A	TYR224
A	HOH2352
A	HOH2353
B	ARG38
B	ALA59
B	ASP60
B	LEU61
B	LYS62
B	GLY83
B	TYR84
B	ARG85
B	VAL88
B	ARG91
B	LEU92
B	GLY125
B	HIS126
B	ASP127
B	TYR130
B	ASP156
B	HOH2023
B	HOH2038
B	HOH2089
B	HOH2090
B	HOH2104
B	HOH2111
B	HOH2120
B	HOH2122
B	HOH2191
B	HOH2394
B	HOH2395
B	HOH2396
B	HOH2397
B	HOH2398

---

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL C 1361

Chain	Residue
C	PRO96
C	CYS99
C	ALA100
C	ASN103
C	ASP104
C	LEU106
C	GLY181
C	GLN182
C	HOH2144
C	HOH2176

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C 1362

Chain	Residue
D	THR211
C	ARG203
C	THR209
C	ASP210
C	HOH2278
C	HOH2293
C	HOH2477
D	THR209
D	ASP210

---

site_id	AC8
Number of Residues	31
Details	BINDING SITE FOR RESIDUE MC4 C 1363

Chain	Residue
C	ARG38
C	ALA59
C	ASP60
C	LEU61
C	LYS62
C	GLY83
C	TYR84
C	ARG85
C	VAL88
C	ARG91
C	LEU92
C	GLY125
C	HIS126
C	ASP127
C	TYR130
C	ASP156
C	HOH2023
C	HOH2040
C	HOH2103
C	HOH2115
C	HOH2122
C	HOH2124
C	HOH2220
C	HOH2478
C	HOH2479
C	HOH2480
C	HOH2481
C	HOH2482
C	HOH2483
C	HOH2484
D	TYR224

---

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 D 1361

Chain	Residue
A	HIS282
A	HOH2362
A	HOH2408
A	HOH2417
A	HOH2418
D	HIS282
D	HOH2330
D	HOH2333
D	HOH2418

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D 1362

Chain	Residue
D	PRO96
D	CYS99
D	ALA100
D	ASN103
D	ASP104
D	LEU106
D	VAL183
D	HOH2144
D	HOH2165

---

site_id	BC2
Number of Residues	33
Details	BINDING SITE FOR RESIDUE MC4 D 1363

Chain	Residue
C	HOH2328
C	HOH2329
D	ARG38
D	ALA59
D	ASP60
D	LEU61
D	LYS62
D	GLY83
D	TYR84
D	ARG85
D	VAL88
D	ARG91
D	LEU92
D	GLY125
D	HIS126
D	ASP127
D	TYR130
D	ASP156
D	HOH2020
D	HOH2025
D	HOH2044
D	HOH2113
D	HOH2120
D	HOH2128
D	HOH2130
D	HOH2196
D	HOH2419
D	HOH2420
D	HOH2421
D	HOH2422
D	HOH2424
D	HOH2425
D	HOH2426

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000305|PubMed:17320106, ECO:0000305|PubMed:22360758

Chain	Residue	Details
A	HIS126
B	HIS126
C	HIS126
D	HIS126

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton donor => ECO:0000305|PubMed:17320106, ECO:0000305|PubMed:22360758

Chain	Residue	Details
A	ASP156
B	ASP156
C	ASP156
D	ASP156

---

site_id	SWS_FT_FI3
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269|PubMed:17320106, ECO:0000269|PubMed:22360758

Chain	Residue	Details
A	ARG38
B	GLY125
C	ARG38
C	ALA59
C	GLY83
C	ARG91
C	GLY125
D	ARG38
D	ALA59
D	GLY83
D	ARG91
A	ALA59
D	GLY125
A	GLY83
A	ARG91
A	GLY125
B	ARG38
B	ALA59
B	GLY83
B	ARG91

---