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Summary Geometry Related PDB entries

54X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O15	C3	doub	1.22Å	1.25Å
C12	S11	sing	1.76Å	1.71Å	Aromatic
C12	C13	doub	1.34Å	1.40Å	Aromatic
C3	N4	sing	1.34Å	1.36Å
C3	C2	sing	1.47Å	1.48Å
N4	C5	doub	1.30Å	1.33Å
S11	C10	sing	1.76Å	1.70Å	Aromatic
C13	C14	sing	1.38Å	1.41Å	Aromatic
C10	C14	doub	1.35Å	1.40Å	Aromatic
C10	C9	sing	1.48Å	1.49Å
C5	N6	sing	1.34Å	1.36Å
C2	C9	sing	1.46Å	1.52Å	Aromatic
C2	C1	doub	1.38Å	1.48Å	Aromatic
C9	C8	doub	1.33Å	1.40Å	Aromatic
N6	C1	sing	1.38Å	1.38Å
C1	S7	sing	1.76Å	1.71Å	Aromatic
C8	S7	sing	1.75Å	1.75Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
N6	H2	sing	0.97Å	1.00Å
C8	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O15	C3	N4	122.6°	120.6°
O15	C3	C2	119.5°	120.6°
S11	C12	C13	108.4°	109.8°
C12	S11	C10	94.7°	91.0°
S11	C12	H6	125.8°	125.1°
C12	C13	C14	115.1°	115.1°
C12	C13	H5	122.5°	122.5°
C13	C12	H6	125.8°	125.1°
N4	C3	C2	117.9°	118.8°
C3	N4	C5	123.5°	121.4°
C3	C2	C9	138.3°	130.4°
C3	C2	C1	115.1°	117.3°
N4	C5	N6	123.8°	122.6°
N4	C5	H1	118.1°	118.7°
S11	C10	C14	110.9°	109.4°
S11	C10	C9	118.8°	125.3°
C13	C14	C10	110.8°	114.7°
C13	C14	H4	124.6°	122.7°
C14	C13	H5	122.4°	122.4°
C14	C10	C9	129.7°	125.3°
C10	C14	H4	124.6°	122.6°
C10	C9	C2	124.8°	122.9°
C10	C9	C8	119.3°	122.8°
C5	N6	C1	117.9°	121.2°
N6	C5	H1	118.1°	118.7°
C5	N6	H2	121.0°	119.5°
C9	C2	C1	106.5°	112.3°
C2	C9	C8	115.6°	114.3°
C2	C1	N6	121.7°	118.8°
C2	C1	S7	113.1°	110.0°
C9	C8	S7	109.8°	111.0°
C9	C8	H3	125.1°	124.5°
N6	C1	S7	125.2°	131.2°
C1	N6	H2	121.1°	119.4°
C1	S7	C8	94.9°	92.3°
S7	C8	H3	125.1°	124.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O15	C3	N4	C2	179.6°	179.7°
O15	C3	N4	C5	179.4°	180.0°
O15	C3	C2	C9	2.5°	0.6°
O15	C3	C2	C1	178.3°	179.8°
S11	C12	C13	H6	180.0°	179.7°
S11	C12	C13	C14	0.5°	0.2°
C12	S11	C10	C14	2.7°	0.3°
C12	S11	C10	C9	174.5°	179.9°
S11	C12	C13	H5	179.5°	179.8°
C13	C12	S11	C10	1.2°	0.3°
C12	C13	C14	H5	180.0°	180.0°
C12	C13	C14	C10	2.5°	0.0°
C12	C13	C14	H4	177.5°	180.0°
C3	N4	C5	N6	1.8°	0.0°
N4	C3	C2	C9	177.1°	179.7°
N4	C3	C2	C1	1.3°	0.5°
C3	N4	C5	H1	178.2°	180.0°
C2	C3	N4	C5	1.0°	0.3°
C3	C2	C9	C10	0.9°	0.6°
C3	C2	C9	C1	176.1°	179.2°
C3	C2	C9	C8	176.0°	179.6°
C3	C2	C1	N6	3.0°	0.5°
C3	C2	C1	S7	179.0°	179.8°
N4	C5	N6	H1	180.0°	180.0°
N4	C5	N6	C1	0.1°	0.0°
N4	C5	N6	H2	179.9°	180.0°
S11	C10	C14	C13	3.3°	0.2°
S11	C10	C14	C9	170.7°	179.8°
S11	C10	C9	C2	29.2°	50.0°
S11	C10	C9	C8	145.7°	129.8°
S11	C10	C14	H4	176.6°	179.7°
C10	S11	C12	H6	178.8°	180.0°
C13	C14	C10	H4	180.0°	179.9°
C13	C14	C10	C9	174.0°	180.0°
C14	C13	C12	H6	179.4°	179.9°
C14	C10	C9	C2	160.7°	130.2°
C14	C10	C9	C8	24.4°	50.0°
C10	C14	C13	H5	177.5°	180.0°
C10	C9	C2	C8	175.1°	179.7°
C10	C9	C2	C1	175.1°	179.8°
C10	C9	C8	S7	177.3°	180.0°
C10	C9	C8	H3	2.7°	0.0°
C9	C10	C14	H4	5.9°	0.1°
C5	N6	C1	C2	2.3°	0.3°
C5	N6	C1	H2	180.0°	180.0°
C5	N6	C1	S7	179.9°	179.9°
C9	C2	C1	N6	179.9°	179.8°
C9	C2	C1	S7	1.9°	0.5°
C2	C9	C8	S7	1.9°	0.2°
C2	C9	C8	H3	178.1°	179.8°
C1	C2	C9	C8	0.1°	0.4°
C2	C1	N6	S7	177.8°	179.7°
C2	C1	S7	C8	2.7°	0.3°
C2	C1	N6	H2	177.7°	179.8°
C9	C8	S7	C1	2.6°	0.0°
C9	C8	S7	H3	180.0°	180.0°
N6	C1	S7	C8	179.4°	180.0°
C1	N6	C5	H1	179.9°	180.0°
S7	C1	N6	H2	0.1°	0.1°
C1	S7	C8	H3	177.4°	180.0°
H1	C5	N6	H2	0.1°	0.0°
H4	C14	C13	H5	2.5°	0.0°
H5	C13	C12	H6	0.5°	0.1°

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PDB entries from 2026-01-14

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