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Summary Geometry Related PDB entries

A1MCC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C6	doub	1.22Å	1.26Å
C6	O1	sing	1.35Å	1.28Å
C6	C1	sing	1.47Å	1.51Å
C2	C1	doub	1.40Å	1.39Å	Aromatic
C2	N1	sing	1.32Å	1.34Å	Aromatic
C1	C5	sing	1.40Å	1.38Å	Aromatic
N1	C3	doub	1.33Å	1.34Å	Aromatic
C5	C4	doub	1.37Å	1.36Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C3	N2	sing	1.39Å	1.41Å
O3	C7	doub	1.21Å	1.22Å
N2	C7	sing	1.35Å	1.37Å
C7	C8	sing	1.51Å	1.50Å
C2	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
O1	H4	sing	0.97Å	0.95Å
N2	H5	sing	0.97Å	1.00Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C6	O1	123.0°	120.0°
O2	C6	C1	119.7°	120.0°
O1	C6	C1	117.2°	120.0°
C6	O1	H4	109.5°	117.0°
C6	C1	C2	122.8°	120.5°
C6	C1	C5	120.2°	120.5°
C1	C2	N1	123.8°	120.5°
C2	C1	C5	117.0°	119.0°
C1	C2	H1	118.1°	119.8°
C2	N1	C3	117.2°	121.6°
N1	C2	H1	118.1°	119.7°
C1	C5	C4	120.5°	118.5°
C1	C5	H3	119.8°	120.8°
N1	C3	C4	122.8°	121.0°
N1	C3	N2	116.2°	119.5°
C5	C4	C3	118.7°	119.4°
C5	C4	H2	120.7°	120.3°
C4	C5	H3	119.8°	120.8°
C4	C3	N2	121.0°	119.5°
C3	C4	H2	120.6°	120.3°
C3	N2	C7	130.2°	120.0°
C3	N2	H5	114.9°	120.0°
O3	C7	N2	124.3°	120.0°
O3	C7	C8	121.9°	120.0°
N2	C7	C8	113.8°	120.0°
C7	N2	H5	114.9°	120.0°
C7	C8	H6	109.5°	109.4°
C7	C8	H7	109.5°	109.5°
C7	C8	H8	109.5°	109.4°
H6	C8	H7	109.4°	109.5°
H6	C8	H8	109.5°	109.4°
H7	C8	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C6	O1	C1	176.9°	179.9°
O2	C6	C1	C2	9.5°	179.7°
O2	C6	C1	C5	168.6°	0.1°
O2	C6	O1	H4	0.0°	0.0°
O1	C6	C1	C2	173.6°	0.4°
O1	C6	C1	C5	8.4°	180.0°
C6	C1	C2	C5	178.1°	179.6°
C6	C1	C2	N1	179.0°	179.8°
C6	C1	C5	C4	178.7°	179.7°
C6	C1	C2	H1	1.1°	0.4°
C6	C1	C5	H3	1.3°	0.3°
C1	C6	O1	H4	176.9°	180.0°
C1	C2	N1	H1	180.0°	179.9°
C1	C2	N1	C3	1.2°	0.1°
C2	C1	C5	C4	0.6°	0.1°
C2	C1	C5	H3	179.4°	179.9°
N1	C2	C1	C5	0.9°	0.1°
C2	N1	C3	C4	1.1°	0.1°
C2	N1	C3	N2	178.7°	180.0°
C1	C5	C4	H3	180.0°	180.0°
C1	C5	C4	C3	0.6°	0.1°
C5	C1	C2	H1	179.1°	180.0°
C1	C5	C4	H2	179.5°	179.9°
N1	C3	C4	C5	0.9°	0.1°
N1	C3	C4	N2	177.5°	180.0°
N1	C3	N2	C7	1.6°	5.1°
C3	N1	C2	H1	178.9°	180.0°
N1	C3	C4	H2	179.2°	179.9°
N1	C3	N2	H5	178.4°	175.0°
C5	C4	C3	H2	180.0°	180.0°
C5	C4	C3	N2	178.3°	180.0°
C4	C3	N2	C7	176.0°	174.9°
C3	C4	C5	H3	179.4°	180.0°
C4	C3	N2	H5	4.0°	5.1°
C3	N2	C7	O3	3.5°	5.1°
C3	N2	C7	H5	180.0°	179.9°
C3	N2	C7	C8	175.5°	174.9°
N2	C3	C4	H2	1.7°	0.0°
O3	C7	N2	C8	179.0°	179.9°
O3	C7	N2	H5	176.5°	175.0°
O3	C7	C8	H6	0.0°	180.0°
O3	C7	C8	H7	120.0°	60.0°
O3	C7	C8	H8	120.0°	60.1°
N2	C7	C8	H6	179.0°	0.1°
N2	C7	C8	H7	59.0°	120.0°
N2	C7	C8	H8	61.0°	120.0°
C8	C7	N2	H5	4.5°	5.1°
C7	C8	H6	H7	120.0°	120.1°
C7	C8	H6	H8	120.0°	119.9°
C7	C8	H7	H8	120.0°	120.0°
H2	C4	C5	H3	0.6°	0.0°
H6	C8	H7	H8	120.0°	120.0°

258009

PDB entries from 2026-08-12

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