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Summary Geometry Related PDB entries

A1BCR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.22Å	1.23Å
C	N	sing	1.35Å	1.33Å
N	C1	sing	1.46Å	1.45Å
C1	C2	sing	1.51Å	1.49Å
C2	C3	sing	1.41Å	1.43Å
C3	C4	doub	1.37Å	1.34Å
C4	C5	sing	1.41Å	1.43Å
C5	O1	doub	1.22Å	1.24Å
N1	C5	sing	1.35Å	1.36Å
N2	N1	sing	1.28Å	1.36Å
C2	N2	doub	1.30Å	1.29Å
C6	C	sing	1.47Å	1.48Å
C6	C7	doub	1.35Å	1.35Å	Aromatic
C7	S	sing	1.71Å	1.70Å	Aromatic
S	C8	sing	1.71Å	1.71Å	Aromatic
C8	N3	doub	1.29Å	1.30Å	Aromatic
N3	C6	sing	1.34Å	1.38Å	Aromatic
N1	H5	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
N	H	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	N	122.8°	120.0°
O	C	C6	121.1°	120.0°
C	N	C1	121.2°	120.0°
N	C	C6	116.1°	120.0°
C	N	H	119.4°	120.0°
N	C1	C2	110.6°	109.5°
N	C1	H1	109.2°	109.5°
N	C1	H2	109.2°	109.5°
C1	N	H	119.4°	120.0°
C1	C2	C3	119.0°	119.8°
C1	C2	N2	119.1°	119.8°
C2	C1	H1	109.2°	109.5°
C2	C1	H2	109.2°	109.5°
C2	C3	C4	119.3°	118.3°
C3	C2	N2	121.9°	120.5°
C2	C3	H3	120.3°	120.8°
C3	C4	C5	120.4°	117.8°
C3	C4	H4	119.8°	121.1°
C4	C3	H3	120.4°	120.8°
C4	C5	O1	125.4°	120.3°
C4	C5	N1	114.4°	119.3°
C5	C4	H4	119.8°	121.1°
O1	C5	N1	120.1°	120.4°
C5	N1	N2	126.8°	121.7°
C5	N1	H5	116.6°	119.1°
N1	N2	C2	117.1°	122.4°
N2	N1	H5	116.6°	119.2°
C	C6	C7	123.9°	123.2°
C	C6	N3	120.8°	123.1°
C6	C7	S	110.3°	108.8°
C7	C6	N3	115.3°	113.7°
C6	C7	H6	124.9°	125.6°
C7	S	C8	89.3°	91.1°
S	C7	H6	124.8°	125.6°
S	C8	N3	115.8°	110.6°
S	C8	H7	122.1°	124.7°
C8	N3	C6	109.4°	115.8°
N3	C8	H7	122.1°	124.7°
H1	C1	H2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	N	C6	179.4°	179.9°
O	C	N	C1	5.5°	0.1°
O	C	C6	C7	10.5°	0.0°
O	C	C6	N3	167.8°	179.9°
O	C	N	H	174.5°	180.0°
C	N	C1	H	180.0°	179.9°
C	N	C1	C2	90.8°	180.0°
N	C	C6	C7	170.1°	180.0°
N	C	C6	N3	11.6°	0.0°
C	N	C1	H1	29.4°	60.0°
C	N	C1	H2	149.0°	60.0°
N	C1	C2	H1	120.1°	120.0°
N	C1	C2	H2	120.2°	120.0°
N	C1	C2	C3	25.2°	180.0°
N	C1	C2	N2	154.0°	0.2°
C1	N	C	C6	175.0°	180.0°
N	C1	H1	H2	119.5°	120.0°
C1	C2	C3	N2	179.2°	179.8°
C1	C2	C3	C4	178.9°	180.0°
C1	C2	N2	N1	179.0°	179.8°
C1	C2	C3	H3	1.1°	0.5°
C2	C1	H1	H2	119.5°	120.0°
C2	C1	N	H	89.2°	0.0°
C2	C3	C4	H3	180.0°	179.5°
C2	C3	C4	C5	0.2°	0.5°
C3	C2	N2	N1	0.2°	0.0°
C2	C3	C4	H4	179.8°	180.0°
C3	C2	C1	H1	145.3°	60.0°
C3	C2	C1	H2	95.0°	60.0°
C3	C4	C5	H4	180.0°	179.5°
C3	C4	C5	O1	179.9°	179.5°
C3	C4	C5	N1	0.0°	0.5°
C4	C3	C2	N2	0.3°	0.2°
C4	C5	O1	N1	179.9°	180.0°
C4	C5	N1	N2	0.0°	0.2°
C4	C5	N1	H5	180.0°	180.0°
C5	C4	C3	H3	179.8°	179.9°
O1	C5	N1	N2	179.9°	179.8°
O1	C5	N1	H5	0.1°	0.0°
O1	C5	C4	H4	0.2°	0.0°
C5	N1	N2	H5	180.0°	179.8°
C5	N1	N2	C2	0.0°	0.0°
N1	C5	C4	H4	179.9°	180.0°
C2	N2	N1	H5	179.9°	179.8°
N2	C2	C3	H3	179.7°	179.7°
N2	C2	C1	H1	33.9°	120.3°
N2	C2	C1	H2	85.8°	119.8°
C	C6	C7	N3	178.4°	180.0°
C	C6	C7	S	178.0°	180.0°
C	C6	N3	C8	178.1°	180.0°
C	C6	C7	H6	2.0°	0.0°
C6	C	N	H	4.9°	0.1°
C6	C7	S	H6	180.0°	180.0°
C6	C7	S	C8	0.2°	0.0°
C7	C6	N3	C8	0.3°	0.0°
C7	S	C8	N3	0.1°	0.0°
S	C7	C6	N3	0.4°	0.0°
C7	S	C8	H7	179.9°	179.9°
S	C8	N3	H7	180.0°	179.9°
S	C8	N3	C6	0.1°	0.0°
C8	S	C7	H6	179.8°	180.0°
N3	C6	C7	H6	179.6°	180.0°
C6	N3	C8	H7	179.9°	179.9°
H4	C4	C3	H3	0.2°	0.5°
H1	C1	N	H	150.6°	120.0°
H2	C1	N	H	31.0°	120.0°

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PDB entries from 2026-03-18

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