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Summary Geometry Related PDB entries

7PJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	C6	doub	1.21Å	1.27Å
C6	O14	sing	1.34Å	1.27Å
C6	C7	sing	1.51Å	1.55Å
O15	C3	doub	1.22Å	1.35Å
C7	S16	sing	1.81Å	1.83Å
C3	C1	sing	1.41Å	1.37Å
C3	N10	sing	1.35Å	1.34Å
N11	C1	sing	1.36Å	1.36Å	Aromatic
N11	C5	doub	1.31Å	1.37Å	Aromatic
C1	C2	doub	1.40Å	1.37Å	Aromatic
N10	C4	sing	1.36Å	1.35Å
S16	C5	sing	1.76Å	1.75Å
C5	N9	sing	1.37Å	1.31Å	Aromatic
C2	N9	sing	1.37Å	1.36Å	Aromatic
C2	N8	sing	1.34Å	1.34Å
C4	N8	doub	1.32Å	1.34Å
C4	N12	sing	1.37Å	1.40Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
N9	H3	sing	0.97Å	1.00Å
N10	H4	sing	0.97Å	1.00Å
N12	H6	sing	0.97Å	1.00Å
N12	H7	sing	0.97Å	1.00Å
O14	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	C6	O14	126.6°	120.0°
O13	C6	C7	111.5°	119.9°
O14	C6	C7	121.8°	120.0°
C6	O14	H8	109.5°	117.0°
C6	C7	S16	114.7°	109.5°
C6	C7	H1	108.1°	109.5°
C6	C7	H2	108.1°	109.5°
O15	C3	C1	122.4°	120.8°
O15	C3	N10	119.4°	120.8°
C7	S16	C5	107.3°	100.0°
S16	C7	H1	108.1°	109.5°
S16	C7	H2	108.1°	109.5°
C1	C3	N10	118.2°	118.4°
C3	C1	N11	134.7°	134.0°
C3	C1	C2	119.8°	118.6°
C3	N10	C4	118.8°	120.3°
C3	N10	H4	120.6°	119.9°
C1	N11	C5	106.4°	109.2°
N11	C1	C2	105.5°	107.5°
N11	C5	S16	123.2°	125.2°
N11	C5	N9	112.6°	109.6°
C1	C2	N9	111.1°	106.2°
C1	C2	N8	122.9°	119.8°
N10	C4	N8	126.3°	121.8°
N10	C4	N12	118.1°	119.1°
C4	N10	H4	120.6°	119.8°
S16	C5	N9	124.3°	125.2°
C5	N9	C2	104.5°	107.5°
C5	N9	H3	127.8°	126.3°
N9	C2	N8	126.0°	134.0°
C2	N9	H3	127.8°	126.2°
C2	N8	C4	114.0°	121.1°
N8	C4	N12	115.6°	119.1°
C4	N12	H6	120.0°	120.0°
C4	N12	H7	120.0°	120.0°
H1	C7	H2	109.5°	109.4°
H6	N12	H7	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	C6	O14	C7	178.9°	180.0°
O13	C6	C7	S16	170.1°	0.0°
O13	C6	C7	H1	69.1°	120.0°
O13	C6	C7	H2	49.4°	120.0°
O13	C6	O14	H8	0.0°	0.0°
O14	C6	C7	S16	10.8°	180.0°
O14	C6	C7	H1	109.9°	60.0°
O14	C6	C7	H2	131.6°	60.0°
C6	C7	S16	H1	120.8°	120.0°
C6	C7	S16	H2	120.7°	120.0°
C6	C7	S16	C5	89.3°	180.0°
C6	C7	H1	H2	117.6°	119.9°
C7	C6	O14	H8	178.9°	180.0°
O15	C3	C1	N10	178.5°	180.0°
O15	C3	C1	N11	1.5°	0.4°
O15	C3	C1	C2	179.4°	180.0°
O15	C3	N10	C4	178.9°	180.0°
O15	C3	N10	H4	1.1°	0.0°
C7	S16	C5	N11	0.2°	0.3°
C7	S16	C5	N9	179.7°	179.9°
S16	C7	H1	H2	117.6°	120.0°
C3	C1	N11	C2	179.1°	179.7°
C3	C1	N11	C5	179.5°	179.9°
C1	C3	N10	C4	0.3°	0.0°
C3	C1	C2	N9	179.4°	180.0°
C3	C1	C2	N8	1.0°	0.0°
C1	C3	N10	H4	179.7°	180.0°
N10	C3	C1	N11	180.0°	179.6°
N10	C3	C1	C2	0.9°	0.0°
C3	N10	C4	H4	180.0°	180.0°
C3	N10	C4	N8	0.3°	0.1°
C3	N10	C4	N12	179.5°	180.0°
C1	N11	C5	S16	179.5°	179.8°
C1	N11	C5	N9	0.6°	0.4°
N11	C1	C2	N9	0.1°	0.3°
N11	C1	C2	N8	179.7°	179.7°
C5	N11	C1	C2	0.4°	0.4°
N11	C5	S16	N9	179.9°	179.8°
N11	C5	N9	C2	0.5°	0.2°
N11	C5	N9	H3	179.4°	179.8°
C1	C2	N9	C5	0.3°	0.0°
C1	C2	N9	N8	179.6°	179.9°
C1	C2	N8	C4	0.4°	0.1°
C1	C2	N9	H3	179.7°	180.0°
N10	C4	N8	C2	0.2°	0.0°
N10	C4	N8	N12	179.8°	180.0°
N10	C4	N12	H6	179.9°	180.0°
N10	C4	N12	H7	0.2°	0.0°
S16	C5	N9	C2	179.6°	180.0°
C5	S16	C7	H1	31.5°	60.0°
C5	S16	C7	H2	150.0°	60.0°
S16	C5	N9	H3	0.5°	0.1°
C5	N9	C2	H3	180.0°	180.0°
C5	N9	C2	N8	179.3°	179.9°
N9	C2	N8	C4	180.0°	180.0°
C2	N8	C4	N12	179.6°	180.0°
N8	C2	N9	H3	0.7°	0.1°
N8	C4	N10	H4	179.7°	180.0°
N8	C4	N12	H6	0.0°	0.0°
N8	C4	N12	H7	180.0°	180.0°
N12	C4	N10	H4	0.5°	0.0°
C4	N12	H6	H7	179.9°	180.0°

225681

PDB entries from 2024-10-02

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