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Summary Geometry Related PDB entries

A1IA5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	1.35Å	1.32Å
O1	C	doub	1.21Å	1.22Å
C	C1	sing	1.48Å	1.48Å
C1	C2	doub	1.39Å	1.36Å
O2	C2	sing	1.36Å	1.35Å
C2	C3	sing	1.47Å	1.45Å
O3	C3	doub	1.22Å	1.23Å
C3	N	sing	1.35Å	1.38Å
N	C4	sing	1.37Å	1.38Å
N1	C4	doub	1.31Å	1.31Å
C1	N1	sing	1.34Å	1.38Å
C4	C5	sing	1.48Å	1.47Å
C5	C6	doub	1.40Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
C7	C8	doub	1.38Å	1.37Å	Aromatic
C8	CL	sing	1.74Å	1.74Å
C9	C8	sing	1.38Å	1.38Å	Aromatic
C10	C9	doub	1.38Å	1.38Å	Aromatic
C5	C10	sing	1.40Å	1.39Å	Aromatic
C7	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
N	H2	sing	0.97Å	1.00Å
O2	H1	sing	0.97Å	0.95Å
O	H	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	O1	123.9°	119.9°
O	C	C1	115.1°	120.0°
C	O	H	109.5°	117.0°
O1	C	C1	121.0°	120.0°
C	C1	C2	122.3°	120.2°
C	C1	N1	112.4°	120.1°
C1	C2	O2	122.3°	121.1°
C1	C2	C3	119.4°	117.9°
C2	C1	N1	125.4°	119.7°
O2	C2	C3	118.3°	121.0°
C2	O2	H1	109.5°	114.0°
C2	C3	O3	126.3°	121.0°
C2	C3	N	113.2°	118.1°
O3	C3	N	120.4°	120.9°
C3	N	C4	123.7°	120.0°
C3	N	H2	118.1°	120.0°
N	C4	N1	123.3°	122.3°
N	C4	C5	117.7°	118.8°
C4	N	H2	118.2°	120.0°
C4	N1	C1	115.0°	122.1°
N1	C4	C5	119.0°	118.8°
C4	C5	C6	120.2°	120.1°
C4	C5	C10	121.0°	120.1°
C5	C6	C7	120.9°	119.8°
C6	C5	C10	118.8°	119.8°
C5	C6	H3	119.6°	120.1°
C6	C7	C8	119.1°	120.1°
C6	C7	H4	120.4°	119.9°
C7	C6	H3	119.5°	120.1°
C7	C8	CL	119.3°	119.9°
C7	C8	C9	121.3°	120.3°
C8	C7	H4	120.4°	120.0°
CL	C8	C9	119.4°	119.9°
C8	C9	C10	119.2°	120.1°
C8	C9	H5	120.4°	119.9°
C9	C10	C5	120.7°	119.9°
C10	C9	H5	120.4°	119.9°
C9	C10	H6	119.6°	120.0°
C5	C10	H6	119.7°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	O1	C1	179.9°	180.0°
O	C	C1	C2	34.6°	180.0°
O	C	C1	N1	145.3°	0.3°
O1	C	C1	C2	145.5°	0.0°
O1	C	C1	N1	34.6°	179.7°
O1	C	O	H	0.0°	0.1°
C	C1	C2	N1	179.9°	179.7°
C	C1	C2	O2	0.2°	0.3°
C	C1	C2	C3	179.8°	179.7°
C	C1	N1	C4	179.7°	179.8°
C1	C	O	H	179.9°	180.0°
C1	C2	O2	C3	180.0°	179.9°
C1	C2	C3	O3	180.0°	179.9°
C1	C2	C3	N	0.0°	0.0°
C2	C1	N1	C4	0.2°	0.0°
C1	C2	O2	H1	179.9°	180.0°
O2	C2	C3	O3	0.0°	0.0°
O2	C2	C3	N	179.9°	179.9°
O2	C2	C1	N1	179.9°	179.9°
C2	C3	O3	N	179.9°	179.9°
C2	C3	N	C4	0.2°	0.0°
C3	C2	C1	N1	0.1°	0.0°
C2	C3	N	H2	179.8°	180.0°
C3	C2	O2	H1	0.0°	0.1°
O3	C3	N	C4	179.9°	180.0°
O3	C3	N	H2	0.1°	0.1°
C3	N	C4	H2	180.0°	179.9°
C3	N	C4	N1	0.4°	0.0°
C3	N	C4	C5	179.7°	180.0°
N	C4	N1	C5	179.3°	180.0°
N	C4	N1	C1	0.4°	0.0°
N	C4	C5	C6	43.7°	180.0°
N	C4	C5	C10	136.5°	0.5°
N1	C4	C5	C6	135.7°	0.0°
N1	C4	C5	C10	44.2°	179.5°
N1	C4	N	H2	179.6°	179.9°
C1	N1	C4	C5	179.7°	179.9°
C4	C5	C6	C10	179.8°	179.5°
C4	C5	C6	C7	180.0°	179.9°
C4	C5	C10	C9	180.0°	179.8°
C4	C5	C10	H6	0.0°	0.2°
C4	C5	C6	H3	0.0°	0.5°
C5	C4	N	H2	0.2°	0.1°
C5	C6	C7	H3	180.0°	179.4°
C5	C6	C7	C8	0.1°	0.5°
C6	C5	C10	C9	0.2°	0.3°
C5	C6	C7	H4	179.9°	179.8°
C6	C5	C10	H6	179.8°	179.8°
C6	C7	C8	H4	180.0°	179.7°
C6	C7	C8	CL	179.9°	179.7°
C6	C7	C8	C9	0.1°	0.3°
C7	C6	C5	C10	0.1°	0.5°
C7	C8	CL	C9	179.9°	180.0°
C7	C8	C9	C10	0.1°	0.0°
C7	C8	C9	H5	179.9°	180.0°
C8	C7	C6	H3	179.9°	180.0°
CL	C8	C9	C10	180.0°	180.0°
CL	C8	C7	H4	0.1°	0.0°
CL	C8	C9	H5	0.0°	0.1°
C8	C9	C10	H5	180.0°	179.9°
C8	C9	C10	C5	0.2°	0.0°
C9	C8	C7	H4	179.9°	180.0°
C8	C9	C10	H6	179.8°	180.0°
C9	C10	C5	H6	180.0°	179.9°
C5	C10	C9	H5	179.8°	180.0°
C10	C5	C6	H3	179.9°	180.0°
H4	C7	C6	H3	0.1°	0.3°
H5	C9	C10	H6	0.2°	0.1°

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PDB entries from 2026-03-18

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