ArchDB - Biological DataBase of Protein Loops

Information on 1e3d_B_63

Loop code: 1e3d_B_63
PDB: 1e3d
Chain: B
Type: HH alpha-alpha

Loop Start: 63 Loop Length: 8
Sec Struct Nt length: 6 Sec Struct Ct length: 14
Structure geometry

d (Å): 6.484200

delta (°): 81.384300

theta (°): 156.089600

rho (°): 24.753300

Sequence:	AQHFTQRTCGVCTYTHALASTRCLEDAI
Sec Struct:	HHHHHHTT-STTTTHHHHHHHHHHHHHH

PDB ligands within a cut-off distance of 6 Å in this loop

Ligands	Residue	atSS	atLOOP
FS3FE3-S4 CLUSTER	R - 69	0	1
FSXBIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II)	R - 69	0	1
FNE(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS, S)NICKEL(II)](FE-NI)	T - 70	0	1
FNE(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS, S)NICKEL(II)](FE-NI)	C - 71	0	1
FSXBIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II)	C - 71	0	1
FNE(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS, S)NICKEL(II)](FE-NI)	G - 72	0	1
FSXBIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II)	G - 72	0	1
FNE(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS, S)NICKEL(II)](FE-NI)	V - 73	0	1
FNE(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS, S)NICKEL(II)](FE-NI)	C - 74	0	1
H2SHYDROSULFURIC ACID	C - 74	0	1
FNE(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS, S)NICKEL(II)](FE-NI)	T - 75	0	1
H2SHYDROSULFURIC ACID	Y - 76	0	1
FNE(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS, S)NICKEL(II)](FE-NI)	T - 77	0	1
H2SHYDROSULFURIC ACID	T - 77	0	1
FNE(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS, S)NICKEL(II)](FE-NI)	H - 78	1	0

PDB Site Annotation

Site	Residue	atSS	atLOOP
NI1 - THE ACTIVE SITE CONTAINS TWO METALS: NI AND FE. THE FE HAS 3 CARBONYL LIGANDS. THE ACTUAL OXIDATION STATE OF THE NI AND FE IN EACH OF THESE STATES IS STILL A MATTER OF INVESTIGATION. IN THE ACTIVE SITE FE-NI COMPOND A H2S BRIDGES NI AND FE, AND HAS PARTIAL OCCUPANCY.	C - 71	0	1
NI1 - THE ACTIVE SITE CONTAINS TWO METALS: NI AND FE. THE FE HAS 3 CARBONYL LIGANDS. THE ACTUAL OXIDATION STATE OF THE NI AND FE IN EACH OF THESE STATES IS STILL A MATTER OF INVESTIGATION. IN THE ACTIVE SITE FE-NI COMPOND A H2S BRIDGES NI AND FE, AND HAS PARTIAL OCCUPANCY.	C - 74	0	1