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Summary Geometry Related PDB entries

XHZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	trip	1.17Å	1.18Å
C2	C3	sing	1.43Å	1.44Å
C13	C3	doub	1.39Å	1.38Å	Aromatic
C13	C12	sing	1.40Å	1.41Å	Aromatic
C3	C4	sing	1.40Å	1.42Å	Aromatic
C11	C12	sing	1.41Å	1.43Å	Aromatic
C11	C10	doub	1.36Å	1.36Å	Aromatic
C12	C6	doub	1.42Å	1.42Å	Aromatic
C10	C9	sing	1.40Å	1.41Å	Aromatic
C4	C5	doub	1.36Å	1.37Å	Aromatic
C6	C5	sing	1.40Å	1.42Å	Aromatic
C6	C7	sing	1.46Å	1.45Å	Aromatic
C9	C7	doub	1.40Å	1.39Å	Aromatic
C9	O2	sing	1.35Å	1.35Å
C7	C8	sing	1.46Å	1.46Å
C8	O1	doub	1.21Å	1.43Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C1	H1	sing	1.05Å	1.06Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	178.3°	180.0°
C2	C1	H1	180.0°	180.0°
C2	C3	C13	121.0°	119.8°
C2	C3	C4	120.6°	119.7°
C3	C13	C12	121.6°	119.5°
C13	C3	C4	118.4°	120.5°
C3	C13	H13	119.2°	120.2°
C13	C12	C11	121.5°	121.1°
C13	C12	C6	119.5°	119.4°
C12	C13	H13	119.2°	120.3°
C3	C4	C5	121.2°	120.7°
C3	C4	H4	119.4°	119.6°
C12	C11	C10	121.6°	120.9°
C11	C12	C6	119.0°	119.6°
C12	C11	H11	119.2°	119.5°
C11	C10	C9	120.4°	121.8°
C10	C11	H11	119.2°	119.5°
C11	C10	H10	119.8°	119.1°
C12	C6	C5	118.1°	120.0°
C12	C6	C7	118.6°	118.8°
C10	C9	C7	120.9°	120.4°
C10	C9	O2	116.9°	119.8°
C9	C10	H10	119.8°	119.1°
C4	C5	C6	121.1°	120.0°
C5	C4	H4	119.4°	119.6°
C4	C5	H5	119.4°	120.0°
C5	C6	C7	123.3°	121.2°
C6	C5	H5	119.5°	120.0°
C6	C7	C9	119.6°	118.5°
C6	C7	C8	123.4°	120.7°
C7	C9	O2	122.2°	119.8°
C9	C7	C8	117.1°	120.7°
C9	O2	HO2	109.5°	114.0°
C7	C8	O1	154.2°	120.0°
C7	C8	H8	102.9°	120.0°
O1	C8	H8	102.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C13	93.4°	84.5°
C1	C2	C3	C4	86.1°	94.9°
C2	C3	C13	C4	179.6°	179.4°
C2	C3	C13	C12	179.8°	180.0°
C2	C3	C4	C5	179.7°	180.0°
C2	C3	C4	H4	0.3°	0.3°
C2	C3	C13	H13	0.2°	0.5°
C3	C2	C1	H1	157.2°	99.5°
C3	C13	C12	H13	180.0°	179.5°
C3	C13	C12	C11	179.9°	179.7°
C3	C13	C12	C6	0.1°	0.3°
C13	C3	C4	C5	0.2°	0.6°
C13	C3	C4	H4	179.9°	179.7°
C12	C13	C3	C4	0.3°	0.6°
C13	C12	C11	C6	180.0°	180.0°
C13	C12	C11	C10	180.0°	180.0°
C13	C12	C6	C5	0.1°	0.0°
C13	C12	C6	C7	179.9°	179.9°
C13	C12	C11	H11	0.0°	0.0°
C3	C4	C5	H4	180.0°	179.7°
C3	C4	C5	C6	0.1°	0.3°
C3	C4	C5	H5	179.9°	179.7°
C4	C3	C13	H13	179.7°	179.9°
C12	C11	C10	H11	180.0°	180.0°
C12	C11	C10	C9	0.2°	0.0°
C11	C12	C6	C5	179.9°	180.0°
C11	C12	C6	C7	0.1°	0.1°
C12	C11	C10	H10	179.8°	180.0°
C11	C12	C13	H13	0.2°	0.2°
C10	C11	C12	C6	0.0°	0.0°
C11	C10	C9	H10	180.0°	180.0°
C11	C10	C9	C7	0.3°	0.0°
C11	C10	C9	O2	179.8°	180.0°
C12	C6	C5	C4	0.2°	0.0°
C12	C6	C5	C7	179.8°	179.9°
C12	C6	C7	C9	0.0°	0.1°
C12	C6	C7	C8	179.8°	180.0°
C12	C6	C5	H5	179.8°	180.0°
C6	C12	C11	H11	180.0°	180.0°
C6	C12	C13	H13	179.9°	179.8°
C10	C9	C7	C6	0.3°	0.0°
C10	C9	C7	O2	179.4°	180.0°
C10	C9	C7	C8	179.9°	180.0°
C9	C10	C11	H11	179.8°	180.0°
C10	C9	O2	HO2	180.0°	90.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	180.0°	179.9°
C5	C6	C7	C9	179.7°	180.0°
C5	C6	C7	C8	0.1°	0.0°
C6	C5	C4	H4	179.9°	180.0°
C6	C7	C9	C8	179.8°	180.0°
C6	C7	C9	O2	179.7°	180.0°
C6	C7	C8	O1	21.5°	180.0°
C7	C6	C5	H5	0.0°	0.0°
C6	C7	C8	H8	158.5°	0.0°
C9	C7	C8	O1	158.7°	0.0°
C9	C7	C8	H8	21.3°	180.0°
C7	C9	C10	H10	179.7°	180.0°
C7	C9	O2	HO2	0.5°	90.0°
O2	C9	C7	C8	0.5°	0.0°
O2	C9	C10	H10	0.2°	0.0°
C7	C8	O1	H8	180.0°	180.0°
H4	C4	C5	H5	0.1°	0.0°
H11	C11	C10	H10	0.2°	0.0°

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PDB entries from 2024-08-07

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