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Summary Geometry Related PDB entries

A1J75

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.50Å
C2	O3	sing	1.45Å	1.46Å
O3	C4	sing	1.35Å	1.36Å
C4	O5	doub	1.21Å	1.21Å
C4	N6	sing	1.35Å	1.34Å
N6	C7	sing	1.40Å	1.42Å
C7	C8	doub	1.39Å	1.38Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C9	C10	doub	1.38Å	1.37Å	Aromatic
C10	C11	sing	1.38Å	1.35Å	Aromatic
C11	C12	doub	1.38Å	1.37Å	Aromatic
C12	C7	sing	1.39Å	1.38Å	Aromatic
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C1	H1C	sing	1.09Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C2	H2A	sing	1.09Å	1.10Å
C2	H2B	sing	1.09Å	1.10Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
N6	H6	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	O3	108.0°	109.5°
C2	C1	H1A	109.5°	109.5°
C2	C1	H1B	109.5°	109.5°
C2	C1	H1C	109.5°	109.5°
C1	C2	H2A	109.8°	109.5°
C1	C2	H2B	109.8°	109.5°
C2	O3	C4	117.1°	117.0°
O3	C2	H2A	109.9°	109.5°
O3	C2	H2B	109.8°	109.5°
O3	C4	O5	124.8°	120.0°
O3	C4	N6	109.0°	120.0°
O5	C4	N6	126.2°	120.0°
C4	N6	C7	127.0°	120.0°
C4	N6	H6	116.5°	120.0°
N6	C7	C8	118.9°	120.1°
N6	C7	C12	121.9°	120.1°
C7	N6	H6	116.5°	120.0°
C7	C8	C9	119.8°	120.0°
C8	C7	C12	119.2°	119.8°
C7	C8	H8	120.1°	120.0°
C8	C9	C10	120.4°	120.0°
C9	C8	H8	120.1°	120.1°
C8	C9	H9	119.8°	120.0°
C9	C10	C11	119.9°	120.1°
C9	C10	H10	120.0°	119.9°
C10	C9	H9	119.8°	120.0°
C10	C11	C12	120.7°	120.1°
C11	C10	H10	120.1°	120.0°
C10	C11	H11	119.6°	119.9°
C11	C12	C7	120.0°	119.9°
C12	C11	H11	119.7°	120.0°
C11	C12	H12	120.0°	120.0°
C7	C12	H12	120.0°	120.0°
H1A	C1	H1B	109.5°	109.5°
H1A	C1	H1C	109.5°	109.5°
H1B	C1	H1C	109.4°	109.5°
H2A	C2	H2B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	O3	H2A	119.7°	120.0°
C1	C2	O3	H2B	119.8°	120.0°
C1	C2	O3	C4	132.2°	180.0°
C2	C1	H1A	H1B	120.0°	120.0°
C2	C1	H1A	H1C	120.0°	120.0°
C2	C1	H1B	H1C	120.0°	120.0°
C1	C2	H2A	H2B	120.7°	120.0°
C2	O3	C4	O5	2.2°	0.0°
C2	O3	C4	N6	178.1°	180.0°
O3	C2	C1	H1A	180.0°	60.0°
O3	C2	C1	H1B	60.0°	60.0°
O3	C2	C1	H1C	60.0°	180.0°
O3	C2	H2A	H2B	120.7°	120.0°
O3	C4	O5	N6	179.7°	180.0°
O3	C4	N6	C7	178.1°	175.4°
C4	O3	C2	H2A	12.4°	60.0°
C4	O3	C2	H2B	108.1°	60.0°
O3	C4	N6	H6	1.9°	4.6°
O5	C4	N6	C7	2.2°	4.6°
O5	C4	N6	H6	177.8°	175.4°
C4	N6	C7	H6	180.0°	180.0°
C4	N6	C7	C8	120.7°	144.9°
C4	N6	C7	C12	61.3°	35.0°
N6	C7	C8	C12	178.1°	180.0°
N6	C7	C8	C9	178.7°	179.7°
N6	C7	C12	C11	178.8°	180.0°
N6	C7	C12	H12	1.2°	0.1°
N6	C7	C8	H8	1.4°	0.0°
C7	C8	C9	H8	180.0°	179.8°
C7	C8	C9	C10	0.1°	0.5°
C8	C7	C12	C11	0.8°	0.0°
C8	C7	C12	H12	179.2°	180.0°
C7	C8	C9	H9	179.9°	180.0°
C8	C7	N6	H6	59.3°	35.1°
C8	C9	C10	H9	180.0°	179.5°
C8	C9	C10	C11	0.7°	0.5°
C9	C8	C7	C12	0.6°	0.2°
C8	C9	C10	H10	179.4°	179.8°
C9	C10	C11	H10	180.0°	179.7°
C9	C10	C11	C12	0.5°	0.2°
C9	C10	C11	H11	179.5°	179.7°
C10	C9	C8	H8	179.8°	179.7°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C7	0.2°	0.0°
C10	C11	C12	H12	179.7°	180.0°
C11	C10	C9	H9	179.3°	180.0°
C11	C12	C7	H12	180.0°	179.9°
C12	C11	C10	H10	179.5°	179.9°
C7	C12	C11	H11	179.8°	180.0°
C12	C7	C8	H8	179.4°	180.0°
C12	C7	N6	H6	118.7°	145.0°
H1A	C1	H1B	H1C	120.0°	120.0°
H1A	C1	C2	H2A	60.2°	60.0°
H1A	C1	C2	H2B	60.2°	180.0°
H1B	C1	C2	H2A	59.8°	180.0°
H1B	C1	C2	H2B	179.8°	60.0°
H1C	C1	C2	H2A	179.7°	60.0°
H1C	C1	C2	H2B	59.8°	60.0°
H10	C10	C11	H11	0.5°	0.0°
H10	C10	C9	H9	0.6°	0.3°
H11	C11	C12	H12	0.2°	0.1°
H8	C8	C9	H9	0.2°	0.2°

260626

PDB entries from 2026-10-07

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