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Summary Geometry Related PDB entries

I7A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	S1	doub	1.42Å	1.43Å
O2	S1	doub	1.42Å	1.43Å
S1	N1	sing	1.66Å	1.58Å
S1	C1	sing	1.76Å	1.76Å
C1	C6	doub	1.38Å	1.42Å	Aromatic
C1	C2	sing	1.38Å	1.41Å	Aromatic
C6	C5	sing	1.38Å	1.40Å	Aromatic
C2	C3	doub	1.38Å	1.41Å	Aromatic
C5	CL2	sing	1.74Å	1.72Å
C5	C4	doub	1.39Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.41Å	Aromatic
C3	S2	sing	1.76Å	1.77Å
C4	CL1	sing	1.74Å	1.70Å
N2	S2	sing	1.66Å	1.57Å
S2	O4	doub	1.42Å	1.43Å
S2	O3	doub	1.42Å	1.44Å
N1	HN11	sing	0.97Å	1.00Å
N1	HN12	sing	0.97Å	1.00Å
N2	HN21	sing	0.97Å	1.00Å
N2	HN22	sing	0.97Å	1.00Å
C2	H2	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	S1	O2	119.6°	123.1°
O1	S1	N1	108.2°	106.4°
O1	S1	C1	106.3°	106.4°
O2	S1	N1	108.1°	106.4°
O2	S1	C1	107.2°	106.4°
N1	S1	C1	106.7°	107.2°
S1	N1	HN11	109.5°	120.0°
S1	N1	HN12	109.5°	120.0°
S1	C1	C6	119.7°	120.0°
S1	C1	C2	119.5°	120.0°
C6	C1	C2	120.8°	120.0°
C1	C6	C5	118.8°	120.0°
C1	C6	H6	120.6°	120.0°
C1	C2	C3	119.4°	120.0°
C1	C2	H2	120.3°	120.0°
C6	C5	CL2	119.3°	120.0°
C6	C5	C4	121.2°	119.9°
C5	C6	H6	120.6°	119.9°
C2	C3	C4	120.3°	120.0°
C2	C3	S2	118.1°	120.0°
C3	C2	H2	120.3°	120.0°
CL2	C5	C4	119.5°	120.0°
C5	C4	C3	119.5°	120.0°
C5	C4	CL1	119.6°	120.0°
C4	C3	S2	121.6°	120.0°
C3	C4	CL1	120.9°	120.1°
C3	S2	N2	109.7°	107.2°
C3	S2	O4	104.5°	106.4°
C3	S2	O3	106.1°	106.4°
N2	S2	O4	109.3°	106.4°
N2	S2	O3	107.8°	106.4°
S2	N2	HN21	109.5°	120.0°
S2	N2	HN22	109.5°	120.1°
O4	S2	O3	119.1°	123.1°
HN11	N1	HN12	109.5°	120.0°
HN21	N2	HN22	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	S1	O2	N1	124.4°	123.0°
O1	S1	O2	C1	120.9°	122.9°
O1	S1	N1	C1	114.0°	113.5°
O1	S1	C1	C6	43.5°	23.5°
O1	S1	C1	C2	136.3°	156.7°
O1	S1	N1	HN11	43.1°	96.5°
O1	S1	N1	HN12	76.9°	83.5°
O2	S1	N1	C1	115.0°	113.6°
O2	S1	C1	C6	172.5°	156.4°
O2	S1	C1	C2	7.3°	23.8°
O2	S1	N1	HN11	87.8°	36.4°
O2	S1	N1	HN12	152.1°	143.6°
N1	S1	C1	C6	71.8°	90.0°
N1	S1	C1	C2	108.3°	89.8°
S1	N1	HN11	HN12	120.0°	180.0°
S1	C1	C6	C2	179.8°	179.8°
S1	C1	C6	C5	179.6°	179.7°
S1	C1	C2	C3	179.5°	180.0°
C1	S1	N1	HN11	157.2°	150.0°
C1	S1	N1	HN12	37.1°	30.0°
S1	C1	C2	H2	0.4°	0.0°
S1	C1	C6	H6	0.4°	0.0°
C1	C6	C5	H6	180.0°	179.7°
C6	C1	C2	C3	0.3°	0.3°
C1	C6	C5	CL2	179.9°	179.7°
C1	C6	C5	C4	0.1°	0.5°
C6	C1	C2	H2	179.7°	179.7°
C2	C1	C6	C5	0.2°	0.5°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	S2	179.8°	180.0°
C2	C1	C6	H6	179.8°	179.8°
C6	C5	CL2	C4	180.0°	179.8°
C6	C5	C4	C3	0.4°	0.3°
C6	C5	C4	CL1	179.4°	179.8°
C2	C3	C4	C5	0.3°	0.0°
C2	C3	C4	S2	179.8°	180.0°
C2	C3	C4	CL1	179.5°	180.0°
C2	C3	S2	N2	5.9°	115.0°
C2	C3	S2	O4	111.2°	131.5°
C2	C3	S2	O3	122.1°	1.4°
CL2	C5	C4	C3	179.7°	180.0°
CL2	C5	C4	CL1	0.6°	0.0°
CL2	C5	C6	H6	0.1°	0.0°
C5	C4	C3	CL1	179.8°	179.9°
C5	C4	C3	S2	179.9°	180.0°
C4	C5	C6	H6	179.9°	179.8°
C4	C3	S2	N2	174.3°	65.0°
C4	C3	S2	O4	68.7°	48.6°
C4	C3	S2	O3	58.1°	178.6°
C4	C3	C2	H2	180.0°	180.0°
S2	C3	C4	CL1	0.4°	0.1°
C3	S2	N2	O4	114.0°	113.5°
C3	S2	N2	O3	115.1°	113.6°
C3	S2	O4	O3	118.2°	122.9°
C3	S2	N2	HN21	23.3°	90.0°
C3	S2	N2	HN22	96.7°	90.0°
S2	C3	C2	H2	0.2°	0.0°
N2	S2	O4	O3	124.5°	123.0°
S2	N2	HN21	HN22	120.0°	180.0°
O4	S2	N2	HN21	90.7°	156.5°
O4	S2	N2	HN22	149.3°	23.5°
O3	S2	N2	HN21	138.5°	23.6°
O3	S2	N2	HN22	18.5°	156.4°

247536

PDB entries from 2026-01-14

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