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Summary Geometry Related PDB entries

A1EDZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.25Å
C1	O2	sing	1.34Å	1.25Å
C1	C2	sing	1.51Å	1.52Å
O3	C4	doub	1.22Å	1.22Å
C2	C3	sing	1.53Å	1.52Å
C4	C5	sing	1.41Å	1.46Å
C4	C3	sing	1.51Å	1.51Å
S1	C5	sing	1.76Å	1.72Å	Aromatic
S1	C8	sing	1.71Å	1.70Å	Aromatic
C5	C6	doub	1.37Å	1.37Å	Aromatic
C8	C7	doub	1.34Å	1.35Å	Aromatic
C6	C7	sing	1.37Å	1.42Å	Aromatic
C6	H2	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C2	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
O2	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	123.7°	120.0°
O1	C1	C2	118.4°	120.1°
O2	C1	C2	117.9°	120.0°
C1	O2	H12	109.5°	117.0°
C1	C2	C3	113.3°	109.4°
C1	C2	H8	108.5°	109.5°
C1	C2	H9	108.5°	109.5°
O3	C4	C5	120.5°	120.0°
O3	C4	C3	122.6°	120.0°
C2	C3	C4	112.4°	109.5°
C3	C2	H8	108.5°	109.4°
C3	C2	H9	108.5°	109.5°
C2	C3	H10	108.7°	109.5°
C2	C3	H11	108.7°	109.5°
C5	C4	C3	116.8°	120.0°
C4	C5	S1	119.1°	125.5°
C4	C5	C6	129.3°	125.5°
C4	C3	H10	108.8°	109.5°
C4	C3	H11	108.7°	109.4°
C5	S1	C8	90.7°	91.6°
S1	C5	C6	111.6°	109.0°
S1	C8	C7	112.0°	111.0°
S1	C8	H6	124.0°	124.5°
C5	C6	C7	110.4°	113.2°
C5	C6	H2	124.8°	123.4°
C8	C7	C6	113.4°	115.2°
C8	C7	H4	123.3°	122.4°
C7	C8	H6	124.0°	124.5°
C7	C6	H2	124.8°	123.4°
C6	C7	H4	123.3°	122.4°
H8	C2	H9	109.4°	109.5°
H10	C3	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	179.9°	180.0°
O1	C1	C2	C3	171.9°	0.1°
O1	C1	C2	H8	67.5°	119.9°
O1	C1	C2	H9	51.3°	119.9°
O1	C1	O2	H12	0.0°	0.0°
O2	C1	C2	C3	8.2°	180.0°
O2	C1	C2	H8	112.4°	60.1°
O2	C1	C2	H9	128.8°	60.0°
C1	C2	C3	H8	120.6°	119.9°
C1	C2	C3	H9	120.6°	120.0°
C1	C2	C3	C4	64.6°	180.0°
C1	C2	H8	H9	118.2°	120.1°
C1	C2	C3	H10	55.9°	60.0°
C1	C2	C3	H11	175.0°	60.1°
C2	C1	O2	H12	179.9°	180.0°
O3	C4	C3	C2	25.2°	0.2°
O3	C4	C5	C3	180.0°	179.8°
O3	C4	C5	S1	14.1°	179.4°
O3	C4	C5	C6	169.5°	0.3°
O3	C4	C3	H10	145.6°	120.3°
O3	C4	C3	H11	95.2°	119.7°
C2	C3	C4	C5	154.9°	180.0°
C2	C3	C4	H10	120.4°	120.1°
C2	C3	C4	H11	120.4°	120.0°
C3	C2	H8	H9	118.2°	120.0°
C2	C3	H10	H11	118.7°	120.1°
C4	C5	S1	C6	177.0°	179.7°
C4	C5	S1	C8	163.8°	179.9°
C4	C5	C6	C7	164.5°	180.0°
C4	C5	C6	H2	15.5°	0.0°
C5	C4	C3	H10	34.4°	60.0°
C5	C4	C3	H11	84.7°	60.0°
C3	C4	C5	S1	165.9°	0.3°
C3	C4	C5	C6	10.5°	180.0°
C4	C3	C2	H8	174.8°	60.1°
C4	C3	C2	H9	56.0°	60.0°
C4	C3	H10	H11	118.7°	119.9°
C5	S1	C8	C7	10.8°	0.3°
S1	C5	C6	C7	12.2°	0.2°
S1	C5	C6	H2	167.8°	179.8°
C5	S1	C8	H6	169.2°	179.9°
C8	S1	C5	C6	13.2°	0.3°
S1	C8	C7	H6	180.0°	179.8°
S1	C8	C7	C6	5.8°	0.3°
S1	C8	C7	H4	174.2°	179.8°
C5	C6	C7	C8	4.2°	0.0°
C5	C6	C7	H2	180.0°	180.0°
C5	C6	C7	H4	175.8°	179.9°
C8	C7	C6	H4	180.0°	179.9°
C8	C7	C6	H2	175.8°	180.0°
C6	C7	C8	H6	174.2°	179.9°
H2	C6	C7	H4	4.2°	0.1°
H4	C7	C8	H6	5.8°	0.1°
H8	C2	C3	H10	64.7°	59.9°
H8	C2	C3	H11	54.4°	180.0°
H9	C2	C3	H10	176.5°	180.0°
H9	C2	C3	H11	64.4°	60.0°

248335

PDB entries from 2026-01-28

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