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Summary Geometry Related PDB entries

A1BHT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.54Å
C1	C3	sing	1.47Å	1.52Å
C1	O1	doub	1.21Å	1.19Å
C10	C3	doub	1.40Å	1.31Å	Aromatic
C10	C9	sing	1.37Å	1.54Å	Aromatic
C3	C4	sing	1.40Å	1.54Å	Aromatic
C4	C5	doub	1.37Å	1.33Å	Aromatic
C5	C6	sing	1.39Å	1.53Å	Aromatic
C6	C9	doub	1.39Å	1.31Å	Aromatic
C6	O2	sing	1.36Å	1.41Å
C7	C8	sing	1.51Å	1.53Å
C7	O2	sing	1.43Å	1.41Å
C8	O3	doub	1.21Å	1.26Å
C8	O4	sing	1.34Å	1.27Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C10	H8	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C9	H7	sing	1.08Å	1.08Å
O4	H9	sing	0.97Å	0.95Å
C2	BR1	sing	1.97Å	1.77Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	121.9°	120.0°
C2	C1	O1	120.2°	120.0°
C1	C2	H2	109.4°	109.4°
C1	C2	H10	109.4°	109.5°
C1	C2	BR1	109.8°	109.5°
C3	C1	O1	117.9°	120.0°
C1	C3	C10	118.2°	120.1°
C1	C3	C4	122.1°	120.1°
C3	C10	C9	119.8°	119.9°
C10	C3	C4	119.7°	119.8°
C3	C10	H8	120.1°	120.1°
C10	C9	C6	121.0°	120.1°
C9	C10	H8	120.1°	120.1°
C10	C9	H7	119.5°	119.9°
C3	C4	C5	120.3°	119.9°
C3	C4	H3	119.8°	120.0°
C4	C5	C6	119.7°	120.1°
C5	C4	H3	119.9°	120.0°
C4	C5	H4	120.2°	119.9°
C5	C6	C9	119.5°	120.2°
C5	C6	O2	121.6°	119.9°
C6	C5	H4	120.2°	119.9°
C9	C6	O2	118.9°	119.9°
C6	C9	H7	119.5°	120.0°
C6	O2	C7	115.3°	117.0°
C8	C7	O2	112.6°	109.4°
C7	C8	O3	119.9°	120.0°
C7	C8	O4	120.5°	120.0°
C8	C7	H5	108.7°	109.5°
C8	C7	H6	108.7°	109.4°
O2	C7	H5	108.7°	109.5°
O2	C7	H6	108.7°	109.5°
O3	C8	O4	119.6°	120.0°
C8	O4	H9	109.5°	117.0°
H5	C7	H6	109.5°	109.5°
H2	C2	H10	109.5°	109.5°
H2	C2	BR1	109.4°	109.5°
H10	C2	BR1	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	O1	179.4°	180.0°
C2	C1	C3	C10	178.6°	180.0°
C2	C1	C3	C4	0.9°	0.7°
C1	C2	H2	H10	119.9°	120.0°
C1	C2	H2	BR1	120.3°	120.0°
C1	C2	H10	BR1	120.3°	120.0°
C1	C3	C10	C4	179.5°	179.4°
C1	C3	C10	C9	179.1°	179.9°
C1	C3	C4	C5	179.3°	179.3°
C1	C3	C4	H3	0.7°	0.4°
C1	C3	C10	H8	0.9°	0.0°
C3	C1	C2	H2	45.6°	60.1°
C3	C1	C2	H10	165.5°	60.0°
C3	C1	C2	BR1	74.5°	180.0°
O1	C1	C3	C10	0.8°	0.0°
O1	C1	C3	C4	179.7°	179.4°
O1	C1	C2	H2	133.8°	120.0°
O1	C1	C2	H10	13.9°	120.0°
O1	C1	C2	BR1	106.2°	0.0°
C3	C10	C9	H8	180.0°	179.9°
C10	C3	C4	C5	0.2°	0.0°
C3	C10	C9	C6	0.7°	0.9°
C10	C3	C4	H3	179.8°	179.8°
C3	C10	C9	H7	179.3°	179.7°
C9	C10	C3	C4	0.4°	0.6°
C10	C9	C6	C5	0.6°	0.6°
C10	C9	C6	H7	180.0°	179.5°
C10	C9	C6	O2	179.1°	179.4°
C3	C4	C5	H3	180.0°	179.7°
C3	C4	C5	C6	0.1°	0.3°
C3	C4	C5	H4	179.8°	179.7°
C4	C3	C10	H8	179.6°	179.4°
C4	C5	C6	H4	180.0°	180.0°
C4	C5	C6	C9	0.4°	0.0°
C4	C5	C6	O2	178.8°	180.0°
C5	C6	C9	O2	178.5°	180.0°
C5	C6	O2	C7	96.0°	180.0°
C6	C5	C4	H3	179.9°	180.0°
C5	C6	C9	H7	179.4°	180.0°
C9	C6	O2	C7	85.6°	0.0°
C9	C6	C5	H4	179.6°	180.0°
C6	C9	C10	H8	179.3°	179.1°
C6	O2	C7	C8	143.3°	180.0°
O2	C6	C5	H4	1.2°	0.0°
C6	O2	C7	H5	22.9°	60.0°
C6	O2	C7	H6	96.2°	60.1°
O2	C6	C9	H7	0.9°	0.0°
C8	C7	O2	H5	120.5°	120.0°
C8	C7	O2	H6	120.5°	119.9°
C7	C8	O3	O4	180.0°	180.0°
C8	C7	H5	H6	118.6°	120.0°
C7	C8	O4	H9	180.0°	180.0°
O2	C7	C8	O3	42.4°	0.0°
O2	C7	C8	O4	137.6°	180.0°
O2	C7	H5	H6	118.6°	120.0°
O3	C8	C7	H5	162.9°	119.9°
O3	C8	C7	H6	78.1°	120.0°
O3	C8	O4	H9	0.0°	0.1°
O4	C8	C7	H5	17.1°	60.0°
O4	C8	C7	H6	102.0°	60.0°
H3	C4	C5	H4	0.1°	0.0°
H8	C10	C9	H7	0.7°	0.4°
H2	C2	H10	BR1	119.9°	120.0°

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PDB entries from 2026-02-04

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