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Summary Geometry Related PDB entries

A1IAR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	O16	sing	1.43Å	1.43Å
C13	C10	sing	1.51Å	1.51Å
N11	C10	doub	1.30Å	1.31Å	Aromatic
N11	C7	sing	1.34Å	1.31Å	Aromatic
O16	C15	sing	1.43Å	1.42Å
C10	N9	sing	1.36Å	1.30Å	Aromatic
C15	C17	sing	1.47Å	1.39Å
C7	C8	doub	1.35Å	1.32Å	Aromatic
C17	C18	trip	1.17Å	1.12Å
N9	C8	sing	1.37Å	1.31Å	Aromatic
N9	C14	sing	1.47Å	1.47Å
C8	N12	sing	1.40Å	1.30Å
C7	H1	sing	1.08Å	1.08Å
N12	H2	sing	0.97Å	1.00Å
N12	H3	sing	0.97Å	1.00Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C18	H11	sing	1.05Å	1.06Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O16	C13	C10	111.8°	109.5°
C13	O16	C15	116.1°	114.0°
O16	C13	H4	108.9°	109.5°
O16	C13	H5	108.9°	109.4°
C13	C10	N11	125.4°	125.7°
C13	C10	N9	123.9°	125.6°
C10	C13	H4	108.9°	109.5°
C10	C13	H5	108.9°	109.5°
C10	N11	C7	106.9°	109.4°
N11	C10	N9	110.7°	108.7°
N11	C7	C8	107.2°	108.1°
N11	C7	H1	126.4°	125.9°
O16	C15	C17	110.4°	109.5°
O16	C15	H6	109.2°	109.4°
O16	C15	H7	109.2°	109.5°
C10	N9	C8	105.7°	107.0°
C10	N9	C14	125.9°	126.5°
C15	C17	C18	179.5°	180.0°
C17	C15	H6	109.3°	109.5°
C17	C15	H7	109.2°	109.5°
C7	C8	N9	109.5°	106.7°
C7	C8	N12	130.9°	126.6°
C8	C7	H1	126.4°	125.9°
C17	C18	H11	180.0°	180.0°
C8	N9	C14	128.4°	126.5°
N9	C8	N12	119.7°	126.6°
N9	C14	H8	109.5°	109.4°
N9	C14	H9	109.5°	109.5°
N9	C14	H10	109.4°	109.5°
C8	N12	H2	109.5°	120.0°
C8	N12	H3	109.4°	120.0°
H2	N12	H3	109.5°	120.0°
H4	C13	H5	109.4°	109.5°
H6	C15	H7	109.5°	109.5°
H8	C14	H9	109.5°	109.5°
H8	C14	H10	109.4°	109.5°
H9	C14	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C13	C10	H4	120.4°	120.0°
O16	C13	C10	H5	120.3°	119.9°
O16	C13	C10	N11	114.0°	90.4°
O16	C13	C10	N9	64.9°	90.0°
C13	O16	C15	C17	123.3°	180.0°
O16	C13	H4	H5	118.9°	119.9°
C13	O16	C15	H6	116.5°	60.0°
C13	O16	C15	H7	3.2°	60.0°
C13	C10	N11	N9	179.0°	179.6°
C13	C10	N11	C7	178.8°	179.9°
C10	C13	O16	C15	10.3°	180.0°
C13	C10	N9	C8	179.6°	180.0°
C13	C10	N9	C14	0.5°	0.4°
C10	C13	H4	H5	119.0°	120.1°
C10	N11	C7	C8	0.9°	0.0°
N11	C10	N9	C8	0.5°	0.4°
N11	C10	N9	C14	179.5°	180.0°
C10	N11	C7	H1	179.2°	179.7°
N11	C10	C13	H4	6.3°	29.5°
N11	C10	C13	H5	125.6°	149.6°
C7	N11	C10	N9	0.2°	0.3°
N11	C7	C8	H1	180.0°	179.7°
N11	C7	C8	N9	1.2°	0.3°
N11	C7	C8	N12	178.8°	179.7°
O16	C15	C17	H6	120.1°	120.0°
O16	C15	C17	H7	120.1°	120.0°
O16	C15	C17	C18	170.1°	4.1°
C15	O16	C13	H4	110.1°	60.0°
C15	O16	C13	H5	130.7°	60.0°
O16	C15	H6	H7	119.6°	119.9°
C10	N9	C8	C7	1.0°	0.4°
C10	N9	C8	C14	180.0°	179.6°
C10	N9	C8	N12	179.0°	179.6°
N9	C10	C13	H4	174.7°	150.0°
N9	C10	C13	H5	55.4°	29.9°
C10	N9	C14	H8	180.0°	90.0°
C10	N9	C14	H9	60.0°	150.0°
C10	N9	C14	H10	60.0°	29.9°
C17	C15	H6	H7	119.6°	120.0°
C15	C17	C18	H11	86.9°	82.8°
C7	C8	N9	N12	180.0°	180.0°
C7	C8	N9	C14	179.0°	180.0°
C7	C8	N12	H2	180.0°	0.0°
C7	C8	N12	H3	60.0°	180.0°
C18	C17	C15	H6	69.8°	115.9°
C18	C17	C15	H7	50.0°	124.1°
N9	C8	C7	H1	178.8°	180.0°
N9	C8	N12	H2	0.1°	179.9°
N9	C8	N12	H3	119.9°	0.0°
C8	N9	C14	H8	0.1°	90.5°
C8	N9	C14	H9	120.0°	29.5°
C8	N9	C14	H10	120.0°	149.6°
C14	N9	C8	N12	1.0°	0.0°
N9	C14	H8	H9	120.0°	120.0°
N9	C14	H8	H10	120.0°	120.0°
N9	C14	H9	H10	120.0°	120.1°
N12	C8	C7	H1	1.1°	0.0°
C8	N12	H2	H3	120.0°	179.9°
H8	C14	H9	H10	120.0°	120.0°

250359

PDB entries from 2026-03-11

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