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Summary Geometry Related PDB entries

A1A36

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.50Å
C1	C2	sing	1.51Å	1.48Å
C2	N	doub	1.29Å	1.29Å	Aromatic
N	C3	sing	1.32Å	1.39Å	Aromatic
C3	C4	doub	1.34Å	1.35Å	Aromatic
C4	C5	sing	1.51Å	1.52Å
C5	N1	sing	1.47Å	1.47Å
N1	C6	sing	1.47Å	1.47Å
S	C4	sing	1.76Å	1.73Å	Aromatic
C2	S	sing	1.71Å	1.76Å	Aromatic
N1	H8	sing	1.01Å	1.00Å
C5	H7	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C3	H5	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	113.4°	109.5°
C	C1	H3	108.5°	109.5°
C	C1	H4	108.5°	109.4°
C1	C	H	109.5°	109.5°
C1	C	H1	109.5°	109.5°
C1	C	H2	109.5°	109.5°
C1	C2	N	123.4°	124.9°
C1	C2	S	121.4°	124.9°
C2	C1	H3	108.5°	109.5°
C2	C1	H4	108.5°	109.5°
C2	N	C3	109.7°	117.1°
N	C2	S	115.2°	110.2°
N	C3	C4	117.3°	114.5°
N	C3	H5	121.3°	122.8°
C3	C4	C5	128.7°	126.0°
C3	C4	S	109.0°	107.9°
C4	C3	H5	121.4°	122.7°
C4	C5	N1	111.6°	109.5°
C5	C4	S	122.3°	126.1°
C4	C5	H7	108.9°	109.5°
C4	C5	H6	108.9°	109.5°
C5	N1	C6	112.4°	111.1°
C5	N1	H8	108.7°	111.0°
N1	C5	H7	108.9°	109.5°
N1	C5	H6	108.9°	109.5°
C6	N1	H8	108.8°	111.0°
N1	C6	H9	109.5°	109.5°
N1	C6	H11	109.5°	109.4°
N1	C6	H10	109.5°	109.4°
C4	S	C2	88.8°	90.3°
H7	C5	H6	109.5°	109.4°
H9	C6	H11	109.4°	109.5°
H9	C6	H10	109.5°	109.5°
H11	C6	H10	109.5°	109.5°
H3	C1	H4	109.5°	109.5°
H	C	H1	109.5°	109.4°
H	C	H2	109.4°	109.5°
H1	C	H2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	H3	120.6°	120.0°
C	C1	C2	H4	120.6°	119.9°
C	C1	C2	N	168.7°	90.0°
C	C1	C2	S	11.5°	89.7°
C	C1	H3	H4	118.3°	120.0°
C1	C	H	H1	120.0°	120.0°
C1	C	H	H2	120.0°	120.0°
C1	C	H1	H2	120.0°	120.0°
C1	C2	N	S	179.9°	179.8°
C1	C2	N	C3	179.8°	180.0°
C1	C2	S	C4	179.7°	179.9°
C2	C1	H3	H4	118.2°	120.0°
C2	C1	C	H	180.0°	60.0°
C2	C1	C	H1	60.0°	60.0°
C2	C1	C	H2	60.0°	180.0°
C2	N	C3	C4	0.2°	0.0°
N	C2	S	C4	0.2°	0.4°
C2	N	C3	H5	179.8°	180.0°
N	C2	C1	H3	48.1°	150.0°
N	C2	C1	H4	70.7°	29.9°
N	C3	C4	H5	180.0°	179.9°
N	C3	C4	C5	177.8°	180.0°
N	C3	C4	S	0.3°	0.3°
C3	N	C2	S	0.1°	0.3°
C3	C4	C5	S	177.9°	179.6°
C3	C4	C5	N1	107.4°	90.1°
C3	C4	S	C2	0.3°	0.4°
C3	C4	C5	H7	12.9°	30.0°
C3	C4	C5	H6	132.3°	149.9°
C4	C5	N1	H7	120.3°	120.1°
C4	C5	N1	H6	120.3°	120.0°
C4	C5	N1	C6	79.8°	180.0°
C5	C4	S	C2	178.0°	180.0°
C4	C5	N1	H8	40.7°	56.0°
C4	C5	H7	H6	119.0°	120.0°
C5	C4	C3	H5	2.2°	0.1°
C5	N1	C6	H8	120.4°	124.0°
N1	C5	C4	S	74.7°	90.3°
N1	C5	H7	H6	119.0°	119.9°
C5	N1	C6	H9	180.0°	180.0°
C5	N1	C6	H11	60.0°	60.0°
C5	N1	C6	H10	60.0°	60.0°
C6	N1	C5	H7	159.9°	59.9°
C6	N1	C5	H6	40.5°	60.0°
N1	C6	H9	H11	120.0°	120.0°
N1	C6	H9	H10	120.0°	120.0°
N1	C6	H11	H10	120.0°	119.9°
S	C4	C5	H7	165.0°	149.6°
S	C4	C5	H6	45.6°	29.7°
S	C4	C3	H5	179.7°	179.8°
S	C2	C1	H3	132.1°	30.3°
S	C2	C1	H4	109.1°	150.3°
H8	N1	C5	H7	79.7°	64.1°
H8	N1	C5	H6	161.0°	176.0°
H8	N1	C6	H9	59.6°	56.0°
H8	N1	C6	H11	179.6°	176.0°
H8	N1	C6	H10	60.4°	64.0°
H9	C6	H11	H10	120.0°	120.0°
H3	C1	C	H	59.4°	180.0°
H3	C1	C	H1	60.6°	60.0°
H3	C1	C	H2	179.4°	60.0°
H4	C1	C	H	59.4°	60.0°
H4	C1	C	H1	179.4°	180.0°
H4	C1	C	H2	60.5°	60.1°
H	C	H1	H2	120.0°	120.0°

249697

PDB entries from 2026-02-25

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