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PDB code:

Information on SUBCLASS 3.3.1

Subclass Accession number: 580 Subclass: 3.3.1 Type: HA beta-beta hairpin DB: ArchDB40 Image coordinates: Consensus coordinates:

Number of loops: 35 Average sequence ID (%) : 17.5 +/- 18.1 Average RMSD (Å) : 0.486 +/- 0.163 Consensus geometry d (Å): 5 delta (°): 90-135 theta (°): 135-180 rho (°): 0-45

Loops included in this Subclass

Loop	PDB	Chain	Start	End	Sequence	Sec Struct	Ramachandran
1a79_A_37	1a79	A	37	44	NVEGNFLS	EE-SS-EE	bxaGabbb
1a9x_A_760	1a9x	A	767	774	ICDGEMVL	EE-SS-EE	bbagabbb
1aya_A_57	1aya	A	57	64	QNTGDYYD	EE-SS-EE	xbagabbb
1bj7_*_97	1bj7	-	104	111	NYDGERIT	EE-SS-EE	bbavabxb
1e54_A_199	1e54	A	212	219	YNFGVAKL	EE-SS-EE	bxaGabbb
1euv_B_23	1euv	B	28	35	VSDGSSEI	EESSS-EE	bbagabbb
1f3v_A_59	1f3v	A	65	72	HRSDPQLI	EE-SSSEE	xxavwxbb
1f8e_A_179	1f8e	A	183	190	CHDGKTRM	EE-SSSEE	bbagabbb
1g29_1_257	1g29	1	258	265	VDFGEFRL	EE-SS-EE	bbagabbb
1h98_A_25	1h98	A	26	33	YDGGDQFY	EE-SSSEE	bxaGabxb
1i4u_A_48	1i4u	A	57	64	SFDGKQFV	EE-SS-EE	bbavabbx
1ii7_A_236	1ii7	A	239	246	EWDGIKFK	EE-SSSEE	bxagabxx
1ijq_A_379	1ijq	A	382	389	FTNRHEVR	EE-BSSEE	bxaGabbx
1ik9_A_31	1ik9	A	36	43	LTDGHSAW	EE-SS-EE	bbavabbb
1io7_A_14	1io7	A	15	22	YYDGNIWQ	EE-SS-EE	bbagabxb
1iwl_A_57	1iwl	A	60	67	VSDGKTLW	EEESSEEE	bbagabbb
1iwm_A_166	1iwm	A	169	176	LTDGGQRI	EE-SS-EE	bbagaxbb
1j0h_A_519	1j0h	A	524	531	KTDGDETV	EE-SS-EE	bbavabbb
1j31_A_133	1j31	A	134	141	FDIGFAKV	EE-SS-EE	bxaGabbb
1jd0_A_56	1jd0	A	60	67	TNNGHSVK	EE-SSSEE	bxavabbb
1k32_A_275	1k32	A	279	286	NTDGRRIL	EESSS-EE	bbavabbb
1kfw_A_376	1kfw	A	379	386	RYDGTQWW	EE-SS-EE	bbagaxbb
1kjo_A_113	1kjo	A	114	121	FWNGSQMV	EE-SSSEE	bbavabxb
1kny_A_63	1kny	A	68	75	WTTGEWKV	EE-SS-EE	bbagabbb
1kop_A_60	1kop	A	62	69	ENNGHTIQ	EE-SS-EE	bbavabbb
1kqf_A_798	1kqf	A	799	806	QWNGSKWT	EE-SSSEE	bxagNbxb
1llf_A_15	1llf	A	15	22	LNAIINEA	EE-SS-EE	bxagabbb
1lmi_A_116	1lmi	A	119	126	MNNGMEDL	EE-SSSEE	bbagabxa
1md6_A_98	1md6	A	102	109	RDMGLTSS	EE-SS-EE	bxaeabbb
1n7o_A_664	1n7o	A	671	678	FMLKDKIA	EE-SS-EE	bxaGabbx
1nsc_A_177	1nsc	A	181	188	CHDGREWT	EE-SS-EE	bbagabxb
1p8x_A_671	1p8x	A	674	681	LDTWDQVF	EE-SS-EE	bbaGabbx
1ps9_A_9	1ps9	A	9	16	LDLGFTTL	EE-SS-EE	bxagabbx
1ug9_A_55	1ug9	A	62	69	VSDGTSAQ	EE-SS-EE	bbagabbb
1v8a_A_169	1v8a	A	171	178	VSDGRRTF	EE-SS-EE	bbagabbb

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

Loop	PDB	Chain	Ligands	Residue
1a9x_A_760	1a9x	A	ADPADENOSINE-5'-DIPHOSPHATE	E - 761
1a9x_A_760	1a9x	A	MNMANGANESE (II) ION	E - 761
1a9x_A_760	1a9x	A	PO4PHOSPHATE ION	E - 780
1a9x_A_760	1a9x	A	ADPADENOSINE-5'-DIPHOSPHATE	H - 781
1h98_A_25	1h98	A	FS4IRON/SULFUR CLUSTER	I - 25
1h98_A_25	1h98	A	FS3FE3-S4 CLUSTER	I - 25
1h98_A_25	1h98	A	FS3FE3-S4 CLUSTER	Q - 31
1h98_A_25	1h98	A	FS3FE3-S4 CLUSTER	F - 32
1h98_A_25	1h98	A	FS4IRON/SULFUR CLUSTER	I - 34
1i4u_A_48	1i4u	A	MPD2-METHYL-2,4-PENTANEDIOL	V - 52
1i4u_A_48	1i4u	A	MPD2-METHYL-2,4-PENTANEDIOL	N - 54
1i4u_A_48	1i4u	A	MPD2-METHYL-2,4-PENTANEDIOL	Y - 56
1i4u_A_48	1i4u	A	MPD2-METHYL-2,4-PENTANEDIOL	S - 67
1iwl_A_57	1iwl	A	ZNZINC ION	I - 58
1j31_A_133	1j31	A	MSESELENOMETHIONINE	G - 142
1kjo_A_113	1kjo	A	CACALCIUM ION	A - 113
1kjo_A_113	1kjo	A	PHQFORMIC ACID BENZYL ESTER	A - 113
1kjo_A_113	1kjo	A	THRTHREONINE	A - 113
1kjo_A_113	1kjo	A	CACALCIUM ION	F - 114
1kjo_A_113	1kjo	A	PHQFORMIC ACID BENZYL ESTER	F - 114
1kjo_A_113	1kjo	A	THRTHREONINE	F - 114
1kjo_A_113	1kjo	A	THRTHREONINE	W - 115
1kny_A_63	1kny	A	KANKANAMYCIN A	E - 67
1kny_A_63	1kny	A	KANKANAMYCIN A	K - 74
1kny_A_63	1kny	A	APCDIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER	E - 76
1kny_A_63	1kny	A	KANKANAMYCIN A	E - 76
1nsc_A_177	1nsc	A	SIAO-SIALIC ACID	S - 177
1nsc_A_177	1nsc	A	SIAO-SIALIC ACID	G - 178
1p8x_A_671	1p8x	A	CACALCIUM ION	V - 671

PDB Site Annotated loops in this subclass

Loop	PDB	Chain	Site	Residue
1h98_A_25	1h98	A	FS4CYSTEINE RESIDUES 20, 39, 42 AND 45 COORDINATE THE FS4	I - 34

Clusters included in this Subclass

CLUSTER: HA.3.24

CLUSTER: HA.4.13

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