2A85

Crystal Structure of the G81A mutant of the Active Chimera of (S)-Mandelate Dehydrogenase in complex with its substrate 2-hydroxyoctanoate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0010181	molecular_function	FMN binding
A	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FMN A 390

Chain	Residue
A	TYR26
A	LYS231
A	SER253
A	HIS255
A	GLY256
A	ARG258
A	ASP284
A	SER285
A	GLY286
A	ARG288
A	GLY307
A	LEU27
A	ARG308
A	HOC462
A	HOH892
A	HOH897
A	HOH943
A	HOH985
A	PRO79
A	THR80
A	ALA81
A	SER108
A	GLN129
A	TYR131
A	THR156

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MES A 890

Chain	Residue
A	TRP87
A	PRO88
A	LYS89
A	ASP240
A	LYS276
A	THR277

---

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HOC A 462

Chain	Residue
A	TYR26
A	TYR131
A	ASN162
A	GLY163
A	ARG165
A	HIS255
A	ARG258
A	GLN259
A	FMN390

---

Functional Information from PROSITE/UniProt

site_id	PS00557
Number of Residues	7
Details	FMN_HYDROXY_ACID_DH_1 FMN-dependent alpha-hydroxy acid dehydrogenases active site. SNHGGRQ

Chain	Residue	Details
A	SER253-GLN259

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00683

Chain	Residue	Details
A	HIS255

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	BINDING: BINDING => ECO:0000305|PubMed:19465768, ECO:0007744|PDB:2A85

Chain	Residue	Details
A	TYR26
A	TYR131
A	ARG165
A	HIS255
A	ARG258

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	BINDING: BINDING => ECO:0000269|PubMed:14604988, ECO:0000269|PubMed:30071260, ECO:0007744|PDB:1P4C, ECO:0007744|PDB:6BFG

Chain	Residue	Details
A	PRO79
A	SER108
A	GLN129
A	THR156
A	LYS231
A	ASP284
A	GLY307

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	5
Details	Annotated By Reference To The Literature 1fcb

Chain	Residue	Details
A	TYR131
A	ASP158
A	HIS255
A	ARG258
A	TYR26

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1fcb

Chain	Residue	Details
A	TYR131
A	HIS255
A	ARG258
A	ASP158

---

site_id	MCSA1
Number of Residues
Details	M-CSA 852

Chain

Residue

Details

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