3SI7

The crystal structure of the NBD1 domain of the mouse CFTR protein, deltaF508 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	13
Details	BINDING SITE FOR RESIDUE ATP A 1

Chain	Residue
A	MG2
A	GLY463
A	LYS464
A	THR465
A	SER466
A	HOH165
A	TRP401
A	GLU410
A	GLN413
A	PHE430
A	THR460
A	GLY461
A	SER462

---

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

Chain	Residue
A	ATP1
A	HOH165
A	GLN413
A	THR465
A	GLN493

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 3

Chain	Residue
A	HOH123
A	HOH166
A	HOH167
A	GLY451
A	ALA596

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT A 4

Chain	Residue
A	HOH105
A	LEU541
A	GLY542
A	GLY545
A	VAL546
A	THR547

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT A 5

Chain	Residue
A	HOH113
A	LYS532
A	SER549
A	GLN552
B	HOH112
B	LYS532
B	GLN552

---

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE ATP B 1

Chain	Residue
A	GLU543
B	MG2
B	HOH126
B	TRP401
B	GLN413
B	THR460
B	GLY461
B	SER462
B	GLY463
B	LYS464
B	THR465
B	SER466
B	GLN493

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 2

Chain	Residue
B	ATP1
B	HOH126
B	GLN413
B	THR465
B	GLN493

---

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

Chain	Residue
B	HOH125
B	GLY451
B	ALA596

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT B 4

Chain	Residue
A	LEU578
B	HOH111
B	GLY542
B	GLY545
B	VAL546
B	THR547

---

site_id	BC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE ATP C 1

Chain	Residue
C	MG2
C	HOH174
C	TRP401
C	GLN413
C	THR460
C	GLY461
C	SER462
C	GLY463
C	LYS464
C	THR465
C	SER466
C	GLN493

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 2

Chain	Residue
C	ATP1
C	HOH174
C	GLN413
C	THR465
C	GLN493

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG C 3

Chain	Residue
C	HOH115
C	HOH134
C	GLY451
C	ALA596

---

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT C 4

Chain	Residue
C	HOH114
C	LEU541
C	GLY542
C	GLY545
C	VAL546
C	THR547
D	LEU578

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT C 5

Chain	Residue
C	HOH172
C	GLU543

---

site_id	BC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE ATP D 1

Chain	Residue
D	SER462
D	GLY463
D	LYS464
D	THR465
D	SER466
D	GLN493
D	PRO499
D	MG2
D	HOH127
D	TRP401
D	LEU409
D	THR460
D	GLY461

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 2

Chain	Residue
D	ATP1
D	HOH127
D	HOH168
D	THR465
D	GLN493

---

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 3

Chain	Residue
D	HOH125
D	HOH126
D	HOH135
D	GLY451
D	ALA596

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT D 4

Chain	Residue
D	HOH115
D	LEU541
D	GLY542
D	GLY545
D	VAL546
D	THR547

---

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT D 5

Chain	Residue
C	HOH116
C	LYS532
C	GLN552
D	LYS532
D	GLN552

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU548-VAL562

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P13569

Chain	Residue	Details
A	TRP401
B	TRP401
C	TRP401
D	TRP401

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00434, ECO:0007744|PDB:1Q3H, ECO:0007744|PDB:1R0X, ECO:0007744|PDB:1R0Z, ECO:0007744|PDB:1R10, ECO:0007744|PDB:1XF9, ECO:0007744|PDB:1XFA, ECO:0007744|PDB:3SI7

Chain	Residue	Details
A	GLY458
B	GLY458
C	GLY458
D	GLY458

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0007744|PDB:1Q3H, ECO:0007744|PDB:1R0X, ECO:0007744|PDB:1R0Z, ECO:0007744|PDB:1XFA

Chain	Residue	Details
A	GLN493
B	GLN493
C	GLN493
D	GLN493

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P13569

Chain	Residue	Details
A	GLY550
A	ILE661
B	GLY550
B	ILE661
C	GLY550
C	ILE661
D	GLY550
D	ILE661

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: Phosphoserine; by PKA => ECO:0000250|UniProtKB:P13569

Chain	Residue	Details
A	VAL671
B	VAL671
C	VAL671
D	VAL671

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	LIPID: S-palmitoyl cysteine => ECO:0000250|UniProtKB:P13569

Chain	Residue	Details
A	GLN525
B	GLN525
C	GLN525
D	GLN525

---