2IXF

Crystal structure of the ATPase domain of TAP1 with ATP (D645Q, Q678H mutant)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005524	molecular_function	ATP binding
A	0016887	molecular_function	ATP hydrolysis activity
B	0005524	molecular_function	ATP binding
B	0016887	molecular_function	ATP hydrolysis activity
C	0005524	molecular_function	ATP binding
C	0016887	molecular_function	ATP hydrolysis activity
D	0005524	molecular_function	ATP binding
D	0016887	molecular_function	ATP hydrolysis activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 2

Chain	Residue
A	ATP1
A	SER522
A	HOH2007
A	HOH2064
A	HOH2168

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 2

Chain	Residue
B	HOH2167
B	ATP1
B	SER522
B	HOH2004
B	HOH2162

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 2

Chain	Residue
C	ATP1
C	SER522
C	GLN645
C	HOH2004
C	HOH2160
C	HOH2164

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 2

Chain	Residue
D	ATP1
D	SER522
D	HOH2001
D	HOH2136
D	HOH2141

---

site_id	AC5
Number of Residues	28
Details	BINDING SITE FOR RESIDUE ATP A 1

Chain	Residue
A	MG2
A	TYR489
A	HIS492
A	VAL497
A	ASN517
A	GLY518
A	SER519
A	GLY520
A	LYS521
A	SER522
A	THR523
A	HIS678
A	HOH2001
A	HOH2002
A	HOH2004
A	HOH2005
A	HOH2006
A	HOH2007
A	HOH2063
A	HOH2168
B	ASN618
B	GLN619
B	LEU620
B	SER621
B	GLY622
B	GLY623
B	GLN624
B	HOH2153

---

site_id	AC6
Number of Residues	29
Details	BINDING SITE FOR RESIDUE ATP B 1

Chain	Residue
A	GLY617
A	ASN618
A	LEU620
A	SER621
A	GLY622
A	GLY623
A	GLN624
B	MG2
B	TYR489
B	HIS492
B	VAL497
B	ASN517
B	GLY518
B	SER519
B	GLY520
B	LYS521
B	SER522
B	THR523
B	GLN645
B	HIS678
B	HOH2001
B	HOH2002
B	HOH2003
B	HOH2004
B	HOH2005
B	HOH2007
B	HOH2008
B	HOH2009
B	HOH2162

---

site_id	AC7
Number of Residues	28
Details	BINDING SITE FOR RESIDUE ATP C 1

Chain	Residue
D	LEU620
D	SER621
D	GLY622
D	GLY623
D	GLN624
D	HOH2127
D	HOH2128
A	SER465
C	MG2
C	TYR489
C	VAL497
C	ASN517
C	GLY518
C	SER519
C	GLY520
C	LYS521
C	SER522
C	THR523
C	GLN645
C	HIS678
C	HOH2001
C	HOH2002
C	HOH2004
C	HOH2005
C	HOH2006
D	GLY617
D	ASN618
D	GLN619

---

site_id	AC8
Number of Residues	28
Details	BINDING SITE FOR RESIDUE ATP D 1

Chain	Residue
B	SER465
C	ASN618
C	GLN619
C	LEU620
C	SER621
C	GLY622
C	GLY623
C	GLN624
C	HOH2143
D	MG2
D	TYR489
D	VAL497
D	ASN517
D	GLY518
D	SER519
D	GLY520
D	LYS521
D	SER522
D	THR523
D	GLN645
D	HIS678
D	HOH2001
D	HOH2003
D	HOH2004
D	HOH2005
D	HOH2006
D	HOH2136
D	HOH2142

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 3

Chain	Residue
A	ARG573
A	GLU574
A	ALA577
A	THR583
A	PRO584
A	HOH2009
A	HOH2010

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 3

Chain	Residue
B	ARG573
B	GLU574
B	ALA577
B	THR583
B	PRO584
B	ILE589

---

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 4

Chain	Residue
A	GLY562
A	GLN563
A	GLU564
A	GLY622
A	ARG625
A	GLN626
A	ALA629
B	HOH2011

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 3

Chain	Residue
C	ARG573
C	GLU574
C	ALA577
C	THR583
C	PRO584
C	ILE589
C	HOH2008
C	HOH2009

---

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 3

Chain	Residue
D	ARG573
D	GLU574
D	ALA577
D	THR583
D	PRO584
D	HOH2007
D	HOH2008

---

Functional Information from PROSITE/UniProt

site_id	PS00211
Number of Residues	15
Details	ABC_TRANSPORTER_1 ABC transporters family signature. LSGGQRQAVALARAL

Chain	Residue	Details
A	LEU620-LEU634

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00434, ECO:0000269|PubMed:17018292, ECO:0007744|PDB:2IXE, ECO:0007744|PDB:2IXF, ECO:0007744|PDB:2IXG, ECO:0007744|PDB:4K8O

Chain	Residue	Details
A	GLY515
B	GLY515
C	GLY515
D	GLY515

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:17018292, ECO:0000269|PubMed:25377891, ECO:0007744|PDB:2IXE, ECO:0007744|PDB:2IXF, ECO:0007744|PDB:4K8O

Chain	Residue	Details
A	SER522
A	ASN618
B	SER522
B	ASN618
C	SER522
C	ASN618
D	SER522
D	ASN618

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:17018292, ECO:0000269|PubMed:25377891, ECO:0007744|PDB:2IXE, ECO:0007744|PDB:2IXG, ECO:0007744|PDB:4K8O

Chain	Residue	Details
A	HIS678
B	HIS678
C	HIS678
D	HIS678

---