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Summary Geometry Related PDB entries

4JT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N7	C3	sing	1.37Å	1.38Å
C3	N1	doub	1.28Å	1.29Å
C3	C6	sing	1.52Å	1.46Å
N1	C4	sing	1.36Å	1.41Å
S2	C6	sing	1.82Å	1.83Å
S2	C5	sing	1.77Å	1.79Å
C4	C5	doub	1.40Å	1.36Å	Aromatic
C4	C8	sing	1.40Å	1.40Å	Aromatic
C5	C9	sing	1.38Å	1.39Å	Aromatic
C8	C10	doub	1.38Å	1.39Å	Aromatic
C9	C11	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
N7	H7	sing	0.97Å	1.00Å
N7	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N7	C3	N1	120.6°	118.0°
N7	C3	C6	116.5°	118.2°
C3	N7	H7	120.0°	120.0°
C3	N7	H8	120.0°	120.0°
N1	C3	C6	122.7°	123.8°
C3	N1	C4	122.7°	127.2°
C3	C6	S2	106.6°	108.0°
C3	C6	H5	110.2°	109.5°
C3	C6	H6	110.2°	109.6°
N1	C4	C5	122.8°	121.6°
N1	C4	C8	117.5°	119.6°
C6	S2	C5	96.1°	101.4°
S2	C6	H5	110.2°	111.7°
S2	C6	H6	110.2°	108.4°
S2	C5	C4	117.0°	119.0°
S2	C5	C9	122.1°	120.5°
C5	C4	C8	119.6°	118.8°
C4	C5	C9	120.9°	120.5°
C4	C8	C10	120.3°	120.1°
C4	C8	H3	119.9°	120.0°
C5	C9	C11	119.4°	119.9°
C5	C9	H4	120.3°	120.0°
C8	C10	C11	119.6°	120.6°
C8	C10	H1	120.2°	119.7°
C10	C8	H3	119.9°	119.9°
C9	C11	C10	120.1°	120.0°
C9	C11	H2	120.0°	120.0°
C11	C9	H4	120.3°	120.1°
C11	C10	H1	120.2°	119.7°
C10	C11	H2	119.9°	120.0°
H5	C6	H6	109.5°	109.6°
H7	N7	H8	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N7	C3	N1	C6	175.0°	178.2°
N7	C3	N1	C4	174.2°	179.8°
N7	C3	C6	S2	140.0°	144.8°
N7	C3	C6	H5	100.5°	93.4°
N7	C3	C6	H6	20.4°	26.9°
C3	N7	H7	H8	180.0°	179.9°
N1	C3	C6	S2	44.9°	37.0°
C3	N1	C4	C5	28.0°	21.7°
C3	N1	C4	C8	152.1°	159.5°
N1	C3	C6	H5	74.6°	84.8°
N1	C3	C6	H6	164.4°	154.9°
N1	C3	N7	H7	0.0°	0.0°
N1	C3	N7	H8	180.0°	180.0°
C6	C3	N1	C4	0.8°	1.6°
C3	C6	S2	H5	119.5°	120.5°
C3	C6	S2	H6	119.5°	118.7°
C3	C6	S2	C5	57.1°	44.2°
C3	C6	H5	H6	121.4°	120.3°
C6	C3	N7	H7	175.3°	178.4°
C6	C3	N7	H8	4.7°	1.7°
N1	C4	C5	S2	0.4°	1.5°
N1	C4	C5	C8	179.9°	178.8°
N1	C4	C5	C9	177.4°	179.5°
N1	C4	C8	C10	179.0°	179.3°
N1	C4	C8	H3	1.0°	0.7°
C6	S2	C5	C4	38.7°	29.2°
C6	S2	C5	C9	139.1°	149.8°
S2	C6	H5	H6	121.3°	120.1°
S2	C5	C4	C9	177.8°	179.0°
S2	C5	C4	C8	179.5°	179.6°
S2	C5	C9	C11	179.7°	179.3°
S2	C5	C9	H4	0.3°	0.6°
C5	S2	C6	H5	62.4°	76.3°
C5	S2	C6	H6	176.7°	162.9°
C5	C4	C8	C10	1.1°	0.5°
C4	C5	C9	C11	2.0°	0.4°
C5	C4	C8	H3	178.9°	179.6°
C4	C5	C9	H4	178.0°	179.6°
C8	C4	C5	C9	2.7°	0.6°
C4	C8	C10	H3	180.0°	179.9°
C4	C8	C10	C11	1.3°	0.1°
C4	C8	C10	H1	178.7°	179.7°
C5	C9	C11	H4	180.0°	179.9°
C5	C9	C11	C10	0.3°	0.1°
C5	C9	C11	H2	179.6°	180.0°
C8	C10	C11	C9	1.9°	0.2°
C8	C10	C11	H1	180.0°	179.8°
C8	C10	C11	H2	178.0°	179.9°
C9	C11	C10	H2	180.0°	179.9°
C9	C11	C10	H1	178.0°	180.0°
C11	C10	C8	H3	178.8°	180.0°
C10	C11	C9	H4	179.6°	180.0°
H1	C10	C11	H2	2.0°	0.1°
H1	C10	C8	H3	1.2°	0.2°
H2	C11	C9	H4	0.4°	0.1°

227344

PDB entries from 2024-11-13

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